From 0a0006e4cdc69148af0432723251d8df04a4dc6c Mon Sep 17 00:00:00 2001 From: Ollie Backhouse Date: Wed, 25 Oct 2023 22:54:37 +0100 Subject: [PATCH 01/10] New attempt at CCSDt --- ebcc/ansatz.py | 2 + ebcc/codegen/GCCSDt.py | 1548 ++++++++++++++++++++ ebcc/codegen/RCCSDt.py | 3123 ++++++++++++++++++++++++++++++++++++++++ 3 files changed, 4673 insertions(+) create mode 100644 ebcc/codegen/GCCSDt.py create mode 100644 ebcc/codegen/RCCSDt.py diff --git a/ebcc/ansatz.py b/ebcc/ansatz.py index 6fe3ce7e..a617d5df 100644 --- a/ebcc/ansatz.py +++ b/ebcc/ansatz.py @@ -17,6 +17,7 @@ "QCISD": ("QCISD", "", 0, 0), "DCD": ("DCD", "", 0, 0), "DCSD": ("DCSD", "", 0, 0), + "CCSDt": ("CCSDt", "", 0, 0), "CCSDt'": ("CCSDt'", "", 0, 0), "CCSD-S-1-1": ("CCSD", "S", 1, 1), "CCSD-SD-1-1": ("CCSD", "SD", 1, 1), @@ -244,6 +245,7 @@ def fermionic_cluster_ranks(self, spin_type="G"): "S": [("t1", "ov", 1)], "D": [("t2", "oovv", 2)], "T": [("t3", "ooovvv", 3)], + "t": [("t3", "ooOvvV", 3)], "t'": [("t3", "OOOVVV", 3)], } if spin_type == "R": diff --git a/ebcc/codegen/GCCSDt.py b/ebcc/codegen/GCCSDt.py new file mode 100644 index 00000000..5f22f167 --- /dev/null +++ b/ebcc/codegen/GCCSDt.py @@ -0,0 +1,1548 @@ +# Code generated for ebcc. + +from ebcc import numpy as np +from ebcc.util import pack_2e, einsum, Namespace +from ebcc.precision import types + +def energy(f=None, v=None, nocc=None, nvir=None, t1=None, t2=None, t3=None, **kwargs): + # energy + e_cc = 0 + e_cc += einsum(f.ov, (0, 1), t1, (0, 1), ()) + x0 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x0 += einsum(t2, (0, 1, 2, 3), (0, 1, 2, 3)) + x0 += einsum(t1, (0, 1), t1, (2, 3), (0, 2, 1, 3)) * 2.0 + e_cc += einsum(v.oovv, (0, 1, 2, 3), x0, (0, 1, 2, 3), ()) * 0.25 + del x0 + + return e_cc + +def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs): + nocc = space.ncocc + nvir = space.ncvir + naocc = space.naocc + navir = space.navir + so = np.ones((nocc,), dtype=bool) + sv = np.ones((nvir,), dtype=bool) + sO = space.active[space.correlated][space.occupied[space.correlated]] + sV = space.active[space.correlated][space.virtual[space.correlated]] + + # T amplitudes + t1new = np.zeros((nocc, nvir), dtype=np.float64) + t1new[np.ix_(so,sv)] += einsum(f.ov, (0, 1), (0, 1)) + t1new[np.ix_(so,sv)] += einsum(f.oo, (0, 1), t1[np.ix_(so,sv)], (1, 2), (0, 2)) * -1.0 + t1new[np.ix_(so,sv)] += einsum(f.vv, (0, 1), t1[np.ix_(so,sv)], (2, 1), (2, 0)) + t1new[np.ix_(so,sv)] += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 1), (2, 3)) + t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 1, 0, 3), (2, 3)) * -1.0 + t1new[np.ix_(so,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (0, 1, 4, 3), (4, 2)) * -0.5 + t1new[np.ix_(so,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvv, (1, 4, 2, 3), (0, 4)) * -0.5 + t1new[np.ix_(so,sv)] += einsum(v.oOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 1, 5, 2, 3), (4, 5)) * 0.25 + t2new = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + t2new[np.ix_(so,so,sv,sv)] += einsum(v.oovv, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(f.OV, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oooo, (4, 5, 0, 1), (4, 5, 2, 3)) * 0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.vvvv, (4, 5, 2, 3), (0, 1, 4, 5)) * 0.5 + t3new = np.zeros((nocc, nocc, naocc, nvir, nvir, navir), dtype=np.float64) + t3new += einsum(f.OO, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -1.0 + t3new += einsum(f.VV, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oooV, (4, 5, 0, 6), (4, 5, 1, 2, 3, 6)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.vvvO, (4, 5, 2, 6), (0, 1, 6, 4, 5, 3)) * -1.0 + t3new += einsum(v.oooo, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 7), (0, 1, 4, 5, 6, 7)) * 0.5 + t3new += einsum(v.OVOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 2, 6, 7, 1), (4, 5, 0, 6, 7, 3)) * -1.0 + t3new += einsum(v.vvvv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 2, 3, 7), (4, 5, 6, 0, 1, 7)) * 0.5 + x0 = np.zeros((nocc, nocc), dtype=np.float64) + x0 += einsum(f.ov, (0, 1), t1[np.ix_(so,sv)], (2, 1), (0, 2)) + t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x0, (0, 2), (2, 1)) * -1.0 + x1 = np.zeros((nocc, nocc), dtype=np.float64) + x1 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 0, 3, 1), (2, 3)) + t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x1, (0, 2), (2, 1)) * -1.0 + x2 = np.zeros((nvir, nvir), dtype=np.float64) + x2 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (0, 2, 3, 1), (2, 3)) + t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x2, (2, 1), (0, 2)) * -1.0 + x3 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x3 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) + t1new[np.ix_(so,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x3, (4, 0, 1, 3), (4, 2)) * 0.5 + x4 = np.zeros((nocc, nocc), dtype=np.float64) + x4 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 1, 2, 3), (0, 4)) + t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x4, (2, 0), (2, 1)) * -0.5 + x5 = np.zeros((nocc, nvir), dtype=np.float64) + x5 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovv, (2, 0, 3, 1), (2, 3)) + t1new[np.ix_(so,sv)] += einsum(x5, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 1), (2, 3)) + x6 = np.zeros((nocc, nocc), dtype=np.float64) + x6 += einsum(t1[np.ix_(so,sv)], (0, 1), x5, (2, 1), (0, 2)) + t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x6, (2, 0), (2, 1)) * -1.0 + x7 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x7 += einsum(f.oo, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (0, 2, 3, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x7, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x7, (0, 1, 2, 3), (1, 0, 3, 2)) + del x7 + x8 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x8 += einsum(f.vv, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 0, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x8, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x8, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x8 + x9 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x9 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x9, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x9, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x9 + x10 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x10 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x10, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x10, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x10 + x11 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x11 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x11, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x11, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x11, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x11, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x11 + x12 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x12 += einsum(v.oOoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 1, 5, 6, 3), (4, 2, 5, 6)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x12, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x12, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 + del x12 + x13 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x13 += einsum(v.vOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 2, 3), (4, 5, 6, 0)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x13, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x13, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 + del x13 + x14 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x14 += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 4), (1, 2, 3, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x14, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x14, (0, 1, 2, 3), (1, 0, 3, 2)) + del x14 + x15 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x15 += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (0, 2, 3, 4)) + x16 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x16 += einsum(t1[np.ix_(so,sv)], (0, 1), x15, (0, 2, 3, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x16, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x16, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + del x16 + x17 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x17 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooo, (2, 3, 4, 0), (2, 3, 4, 1)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x17, (2, 3, 0, 4), (2, 3, 1, 4)) + del x17 + x18 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x18 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) + x19 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x19 += einsum(t1[np.ix_(so,sv)], (0, 1), x18, (2, 0, 3, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (1, 0, 3, 2)) + del x19 + x20 = np.zeros((nocc, nvir, nvir, nvir), dtype=np.float64) + x20 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x20, (2, 3, 4, 1), (0, 2, 4, 3)) * -1.0 + del x20 + x21 = np.zeros((nocc, nocc, nocc, nocc), dtype=np.float64) + x21 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) + x22 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x22 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x21, (4, 0, 1, 5), (4, 5, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x22, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x22, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 + del x22 + x23 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x23 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) + x24 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x24 += einsum(t1[np.ix_(so,sv)], (0, 1), x23, (2, 0, 3, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (1, 0, 3, 2)) + del x24 + x25 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x25 += einsum(x1, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 4), (2, 1, 3, 4)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x25, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x25, (0, 1, 2, 3), (1, 0, 3, 2)) + del x25 + x26 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x26 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) + x27 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x27 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x26, (4, 1, 5, 3), (4, 0, 2, 5)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (1, 0, 3, 2)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + del x27 + x28 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x28 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvv, (4, 5, 2, 3), (0, 1, 4, 5)) + x29 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x29 += einsum(t1[np.ix_(so,sv)], (0, 1), x28, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x29, (0, 1, 2, 3), (0, 1, 2, 3)) * -0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x29, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 + del x29 + x30 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x30 += einsum(x2, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 4, 0)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x30, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x30, (0, 1, 2, 3), (0, 1, 2, 3)) + del x30 + x31 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x31 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvV, (2, 3, 1, 4), (3, 4, 0, 2)) + x32 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x32 += einsum(x31, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) + del x31 + t2new[np.ix_(so,so,sv,sv)] += einsum(x32, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x32, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 + del x32 + x33 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x33 += einsum(v.oOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 2, 3), (4, 5, 0, 6)) + x34 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x34 += einsum(t1[np.ix_(so,sv)], (0, 1), x33, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x34, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x34, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 + del x34 + x35 = np.zeros((naocc, navir), dtype=np.float64) + x35 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvV, (0, 2, 1, 3), (2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x35, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) + del x35 + x36 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x36 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 1, 5, 3), (0, 4, 2, 5)) + x37 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x37 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x36, (4, 1, 5, 3), (0, 4, 2, 5)) + del x36 + t2new[np.ix_(so,so,sv,sv)] += einsum(x37, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x37, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + del x37 + x38 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x38 += einsum(x4, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (2, 0, 3, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x38, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x38, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 + del x38 + x39 = np.zeros((nvir, nvir), dtype=np.float64) + x39 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (0, 1, 4, 3), (2, 4)) + x40 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x40 += einsum(x39, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 4, 0)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x40, (0, 1, 2, 3), (0, 1, 2, 3)) * -0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x40, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 + del x40 + x41 = np.zeros((nocc, nocc, nocc, nocc), dtype=np.float64) + x41 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 5, 2, 3), (0, 1, 4, 5)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x41, (4, 5, 0, 1), (5, 4, 2, 3)) * -0.25 + t3new += einsum(x41, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) * -0.25 + x42 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x42 += einsum(t1[np.ix_(so,sv)], (0, 1), x21, (2, 0, 3, 4), (2, 3, 4, 1)) * -1.0 + x43 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x43 += einsum(t1[np.ix_(so,sv)], (0, 1), x42, (2, 0, 3, 4), (2, 3, 4, 1)) * -1.0 + del x42 + t2new[np.ix_(so,so,sv,sv)] += einsum(x43, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x43, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x43 + x44 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x44 += einsum(t1[np.ix_(so,sv)], (0, 1), x26, (2, 3, 4, 1), (2, 0, 3, 4)) * -1.0 + x45 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x45 += einsum(t1[np.ix_(so,sv)], (0, 1), x44, (2, 3, 0, 4), (3, 2, 1, 4)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x45, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x45, (0, 1, 2, 3), (0, 1, 3, 2)) + del x45 + x46 = np.zeros((nocc, nocc, nocc, nocc), dtype=np.float64) + x46 += einsum(t1[np.ix_(so,sv)], (0, 1), x3, (2, 3, 4, 1), (2, 0, 4, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x46, (4, 5, 1, 0), (5, 4, 2, 3)) * 0.5 + t3new += einsum(x46, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 2, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) * 0.5 + x47 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x47 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x3, (4, 1, 5, 3), (4, 0, 5, 2)) + x48 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x48 += einsum(t1[np.ix_(so,sv)], (0, 1), x47, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x48 + x49 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x49 += einsum(x6, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (0, 2, 3, 4)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x49, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x49, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x49 + x50 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x50 += einsum(t1[np.ix_(so,sv)], (0, 1), x41, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x50, (2, 3, 0, 4), (2, 3, 1, 4)) * 0.5 + del x50 + x51 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x51 += einsum(x5, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 + x52 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x52 += einsum(t1[np.ix_(so,sv)], (0, 1), x51, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x52, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x52, (0, 1, 2, 3), (0, 1, 3, 2)) + del x52 + x53 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x53 += einsum(t1[np.ix_(so,sv)], (0, 1), x46, (2, 3, 4, 0), (2, 3, 4, 1)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x53, (2, 3, 0, 4), (3, 2, 1, 4)) * -1.0 + del x53 + x54 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x54 += einsum(f.oo, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + t3new += einsum(x54, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x54, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x54 + x55 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x55 += einsum(f.vv, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + t3new += einsum(x55, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x55, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x55 + x56 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x56 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (1, 4, 5, 6), (6, 3, 0, 5, 2, 4)) + t3new += einsum(x56, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x56, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x56, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x56, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + del x56 + x57 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x57 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oOoV, (4, 5, 1, 6), (5, 6, 0, 4, 2, 3)) + t3new += einsum(x57, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x57, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x57 + x58 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x58 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + t3new += einsum(x58, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x58, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x58 + x59 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x59 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (4, 3, 5, 6), (1, 6, 0, 4, 2, 5)) + t3new += einsum(x59, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x59, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x59, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x59, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x59 + x60 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x60 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) + t3new += einsum(x60, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x60, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x60 + x61 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x61 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.vOvV, (3, 4, 5, 6), (4, 6, 0, 1, 2, 5)) + t3new += einsum(x61, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x61, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x61 + x62 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x62 += einsum(v.oOoO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 3, 5, 6, 7), (1, 7, 4, 0, 5, 6)) + t3new += einsum(x62, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x62, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 + del x62 + x63 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x63 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) + t3new += einsum(x63, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x63, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x63, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x63, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x63 + x64 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x64 += einsum(v.oVoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 6, 7, 1), (5, 3, 4, 0, 6, 7)) + t3new += einsum(x64, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x64, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x64 + x65 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x65 += einsum(v.vOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 2, 7), (3, 7, 4, 5, 6, 0)) + t3new += einsum(x65, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x65, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x65 + x66 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x66 += einsum(v.vVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 2, 3), (6, 1, 4, 5, 7, 0)) + t3new += einsum(x66, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 + t3new += einsum(x66, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 + del x66 + x67 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x67 += einsum(x0, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 0, 3, 4, 5, 6), (3, 6, 1, 2, 4, 5)) + del x0 + t3new += einsum(x67, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x67, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x67 + x68 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x68 += einsum(f.ov, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) + x69 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x69 += einsum(t1[np.ix_(so,sv)], (0, 1), x68, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) + del x68 + t3new += einsum(x69, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x69, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x69 + x70 = np.zeros((navir, navir), dtype=np.float64) + x70 += einsum(f.oV, (0, 1), t1[np.ix_(so,sV)], (0, 2), (1, 2)) + t3new += einsum(x70, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -1.0 + del x70 + x71 = np.zeros((naocc, naocc), dtype=np.float64) + x71 += einsum(f.vO, (0, 1), t1[np.ix_(sO,sv)], (2, 0), (1, 2)) + t3new += einsum(x71, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -1.0 + del x71 + x72 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x72 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sv,sV)], (2, 3, 1, 4), (3, 4, 0, 2)) + x73 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x73 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x72, (4, 5, 1, 6), (4, 5, 6, 0, 2, 3)) + del x72 + t3new += einsum(x73, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x73, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x73 + x74 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x74 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x15, (0, 4, 5, 6), (1, 3, 4, 5, 2, 6)) + del x15 + t3new += einsum(x74, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x74, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x74 + x75 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x75 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 4, 1), (3, 0, 2, 4)) * -1.0 + x76 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x76 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x75, (4, 1, 5, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x75 + t3new += einsum(x76, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x76, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x76, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x76, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x76 + x77 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x77 += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sV)], (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x77, (4, 0, 5, 6), (5, 6, 1, 2, 3, 4)) * -1.0 + del x77 + x78 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x78 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooO, (2, 0, 3, 4), (4, 3, 2, 1)) * -1.0 + x79 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x79 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x78, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) + del x78 + t3new += einsum(x79, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x79, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x79, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x79, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x79 + x80 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x80 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvO, (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 + x81 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x81 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x80, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 + del x80 + t3new += einsum(x81, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x81, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x81, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x81, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x81 + x82 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x82 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvO, (4, 5, 2, 6), (6, 3, 0, 1, 4, 5)) + x83 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x83 += einsum(t1[np.ix_(so,sv)], (0, 1), x82, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x82 + t3new += einsum(x83, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x83, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x83 + x84 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x84 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvO, (2, 3, 1, 4), (4, 3, 0, 2)) + x85 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x85 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x84, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x84 + t3new += einsum(x85, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x85, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x85 + x86 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x86 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 3, 6), (6, 5, 0, 1, 4, 2)) + x87 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x87 += einsum(t1[np.ix_(so,sv)], (0, 1), x86, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x86 + t3new += einsum(x87, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x87, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x87 + x88 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x88 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oooo, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) + x89 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x89 += einsum(t1[np.ix_(so,sv)], (0, 1), x88, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x88 + t3new += einsum(x89, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x89, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x89 + x90 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x90 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovoV, (2, 1, 3, 4), (4, 0, 3, 2)) * -1.0 + x91 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x91 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x90, (4, 5, 0, 6), (1, 4, 5, 6, 2, 3)) * -1.0 + del x90 + t3new += einsum(x91, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x91, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x91 + x92 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x92 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x18, (4, 0, 5, 6), (1, 3, 4, 5, 2, 6)) + del x18 + t3new += einsum(x92, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x92, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x92, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x92, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x92 + x93 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x93 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovoV, (4, 3, 5, 6), (1, 6, 0, 5, 4, 2)) + x94 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x94 += einsum(t1[np.ix_(so,sv)], (0, 1), x93, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x93 + t3new += einsum(x94, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x94, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x94, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x94, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x94 + x95 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x95 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 5, 6, 2), (1, 3, 0, 4, 6, 5)) + x96 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x96 += einsum(t1[np.ix_(so,sv)], (0, 1), x95, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x95 + t3new += einsum(x96, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x96, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x96, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x96, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x96 + x97 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x97 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooO, (2, 0, 3, 4), (4, 1, 3, 2)) * -1.0 + x98 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x98 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x97, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) * -1.0 + del x97 + t3new += einsum(x98, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x98, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x98 + x99 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x99 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvO, (0, 2, 3, 4), (4, 1, 3, 2)) * -1.0 + x100 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x100 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x99, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) + del x99 + t3new += einsum(x100, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x100, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x100 + x101 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x101 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooo, (2, 3, 4, 0), (1, 2, 3, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x101, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -1.0 + del x101 + x102 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x102 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovov, (2, 3, 0, 4), (1, 2, 3, 4)) + x103 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x103 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x102, (4, 5, 3, 6), (1, 4, 0, 5, 2, 6)) * -1.0 + del x102 + t3new += einsum(x103, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x103, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x103, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x103, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x103 + x104 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x104 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvvV, (2, 1, 3, 4), (4, 0, 3, 2)) * -1.0 + x105 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x105 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x104, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) + del x104 + t3new += einsum(x105, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x105, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x105, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x105, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x105 + x106 = np.zeros((naocc, navir, nocc, nvir, nvir, nvir), dtype=np.float64) + x106 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.vvvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + x107 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x107 += einsum(t1[np.ix_(so,sv)], (0, 1), x106, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) + del x106 + t3new += einsum(x107, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x107, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x107 + x108 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x108 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovoV, (2, 1, 3, 4), (0, 4, 3, 2)) * -1.0 + x109 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x109 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x108, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) + del x108 + t3new += einsum(x109, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x109, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x109 + x110 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x110 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) + x111 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x111 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x110, (4, 1, 5, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x110 + t3new += einsum(x111, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x111, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x111, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x111, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x111 + x112 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x112 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvV, (2, 1, 3, 4), (0, 4, 3, 2)) * -1.0 + x113 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x113 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x112, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) * -1.0 + del x112 + t3new += einsum(x113, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x113, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x113 + x114 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x114 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x114, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) + del x114 + x115 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x115 += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 2, 4, 5, 6, 7), (4, 7, 0, 3, 5, 6)) + t3new += einsum(x115, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x115, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 + del x115 + x116 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x116 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvO, (2, 3, 1, 4), (3, 4, 0, 2)) + x117 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x117 += einsum(x116, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 0, 5, 6, 7), (1, 7, 2, 4, 5, 6)) + del x116 + t3new += einsum(x117, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x117, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 + del x117 + x118 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x118 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) + x119 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x119 += einsum(t1[np.ix_(so,sv)], (0, 1), x118, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x118 + t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x119 + x120 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x120 += einsum(x1, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 0, 3, 4, 5, 6), (3, 6, 2, 1, 4, 5)) * -1.0 + del x1 + t3new += einsum(x120, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x120, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x120 + x121 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x121 += einsum(v.oOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 2, 7), (3, 7, 4, 5, 0, 6)) + x122 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x122 += einsum(t1[np.ix_(so,sv)], (0, 1), x121, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x121 + t3new += einsum(x122, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x122, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x122 + x123 = np.zeros((naocc, naocc), dtype=np.float64) + x123 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvO, (0, 2, 1, 3), (2, 3)) + t3new += einsum(x123, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -1.0 + del x123 + x124 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x124 += einsum(x26, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) * -1.0 + del x26 + t3new += einsum(x124, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x124, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x124, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x124, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + del x124 + x125 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x125 += einsum(v.ovvv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 2, 3, 7), (6, 7, 4, 5, 0, 1)) + x126 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x126 += einsum(t1[np.ix_(so,sv)], (0, 1), x125, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x125 + t3new += einsum(x126, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 + t3new += einsum(x126, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + del x126 + x127 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x127 += einsum(x2, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) * -1.0 + del x2 + t3new += einsum(x127, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x127, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x127 + x128 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x128 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvV, (2, 3, 1, 4), (3, 4, 0, 2)) + x129 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x129 += einsum(x128, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + del x128 + t3new += einsum(x129, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x129, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x129 + x130 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x130 += einsum(v.oVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 2, 3), (6, 1, 4, 5, 0, 7)) + x131 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x131 += einsum(t1[np.ix_(so,sv)], (0, 1), x130, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x130 + t3new += einsum(x131, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 + t3new += einsum(x131, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 + del x131 + x132 = np.zeros((navir, navir), dtype=np.float64) + x132 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvV, (0, 2, 1, 3), (2, 3)) + t3new += einsum(x132, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) + del x132 + x133 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x133 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooV, (2, 0, 3, 4), (1, 4, 3, 2)) * -1.0 + x134 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x134 += einsum(x133, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 5, 6, 7, 1), (5, 0, 4, 2, 6, 7)) * -1.0 + del x133 + t3new += einsum(x134, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x134, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x134 + x135 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x135 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oOOV, (0, 2, 3, 4), (3, 2, 1, 4)) * -1.0 + t3new += einsum(x135, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) + del x135 + x136 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) + x136 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvV, (0, 2, 3, 4), (1, 4, 3, 2)) * -1.0 + x137 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x137 += einsum(x136, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 2, 1), (6, 0, 4, 5, 7, 3)) + del x136 + t3new += einsum(x137, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x137, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 + del x137 + x138 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x138 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovoO, (2, 1, 3, 4), (0, 4, 3, 2)) * -1.0 + x139 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x139 += einsum(x138, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 1, 5, 6, 7), (0, 7, 4, 3, 5, 6)) + del x138 + t3new += einsum(x139, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 + t3new += einsum(x139, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + del x139 + x140 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) + x140 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvO, (2, 1, 3, 4), (0, 4, 3, 2)) * -1.0 + x141 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x141 += einsum(x140, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 6, 2)) * -1.0 + del x140 + t3new += einsum(x141, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x141, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x141 + x142 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x142 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vVOV, (1, 2, 3, 4), (0, 3, 4, 2)) * -1.0 + t3new += einsum(x142, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) + del x142 + x143 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x143 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovO, (4, 1, 3, 5), (5, 0, 4, 2)) * -1.0 + x144 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x144 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x143, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x143 + t3new += einsum(x144, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x144, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x144, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x144, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x144 + x145 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x145 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovO, (4, 1, 2, 5), (5, 3, 0, 4)) + x146 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x146 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x145, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 + del x145 + t3new += einsum(x146, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x146, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x146 + x147 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x147 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovO, (0, 1, 4, 5), (5, 3, 2, 4)) + x148 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x148 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x147, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x147 + t3new += einsum(x148, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x148, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 + del x148 + x149 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x149 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovO, (0, 1, 4, 5), (5, 2, 3, 4)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x149, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * -0.5 + del x149 + x150 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x150 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x23, (4, 0, 5, 6), (1, 3, 4, 5, 2, 6)) + del x23 + t3new += einsum(x150, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x150, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x150, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x150, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + del x150 + x151 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x151 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 2), (1, 3, 4, 5)) + x152 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x152 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x151, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) * -1.0 + del x151 + t3new += einsum(x152, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x152, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x152 + x153 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x153 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + x154 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x154 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x153, (4, 5, 6, 1, 0, 7), (4, 5, 6, 7, 2, 3)) * -1.0 + t3new += einsum(x154, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x154, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 + del x154 + x155 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x155 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 + x156 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x156 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x155, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) + del x155 + t3new += einsum(x156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x156 + x157 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x157 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 1, 5, 2), (3, 0, 4, 5)) * -1.0 + x158 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x158 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x157, (4, 5, 0, 6), (1, 4, 5, 6, 2, 3)) * -1.0 + del x157 + t3new += einsum(x158, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x158, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x158 + x159 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x159 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (0, 1, 4, 5), (3, 4, 2, 5)) * -1.0 + x160 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x160 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x159, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x159 + t3new += einsum(x160, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 + t3new += einsum(x160, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 + t3new += einsum(x160, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x160, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 + del x160 + x161 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x161 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + x162 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x162 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x161, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 2, 7)) * -1.0 + t3new += einsum(x162, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x162, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x162, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x162, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x162 + x163 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x163 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) + x164 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x164 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x163, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) * -1.0 + del x163 + t3new += einsum(x164, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x164, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x164 + x165 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x165 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x28, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x28 + t3new += einsum(x165, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x165, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 + del x165 + x166 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x166 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (4, 5, 2, 3), (1, 0, 4, 5)) * -1.0 + x167 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x167 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x166, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 + del x166 + t3new += einsum(x167, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 + t3new += einsum(x167, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 0.5 + t3new += einsum(x167, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x167, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 + del x167 + x168 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x168 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvv, (1, 4, 5, 2), (3, 0, 4, 5)) * -1.0 + x169 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x169 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x168 + t3new += einsum(x169, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x169, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x169, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x169, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x169 + x170 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x170 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) * -1.0 + x171 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x171 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x170, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) + del x170 + t3new += einsum(x171, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x171, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x171 + x172 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x172 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oVvv, (1, 4, 5, 3), (4, 0, 2, 5)) * -1.0 + x173 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x173 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x172, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x172 + t3new += einsum(x173, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x173, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x173, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x173, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x173 + x174 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x174 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvv, (4, 5, 2, 3), (1, 5, 0, 4)) + x175 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x175 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x174, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x174 + t3new += einsum(x175, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x175, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 + del x175 + x176 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x176 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvv, (0, 4, 5, 3), (1, 4, 2, 5)) + x177 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x177 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x176, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 + del x176 + t3new += einsum(x177, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x177, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x177 + x178 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x178 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oVvv, (4, 5, 2, 3), (5, 0, 1, 4)) * -1.0 + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x178, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -0.5 + del x178 + x179 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x179 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 4, 5, 3, 6), (4, 6, 5, 2)) + x180 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x180 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x179 + t3new += einsum(x180, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 + t3new += einsum(x180, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + del x180 + x181 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x181 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 2, 3, 6), (5, 6, 4, 0)) + x182 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x182 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x181, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x181 + t3new += einsum(x182, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x182, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 + del x182 + x183 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x183 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 6, 2)) + x184 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x184 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x183, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) + del x183 + t3new += einsum(x184, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x184, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x184, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x184, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x184 + x185 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x185 += einsum(x4, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 + del x4 + t3new += einsum(x185, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x185, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 + del x185 + x186 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x186 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 2, 3, 7), (6, 7, 4, 5, 0, 1)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x186, (4, 5, 6, 7, 1, 0), (6, 7, 4, 2, 3, 5)) * -0.25 + x187 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x187 += einsum(x39, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 + del x39 + t3new += einsum(x187, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 + t3new += einsum(x187, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + del x187 + x188 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x188 += einsum(v.oovV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 4, 5, 6, 3), (4, 5, 6, 2)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x188, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * 0.5 + del x188 + x189 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x189 += einsum(v.oovV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 2, 3), (5, 4, 0, 6)) * -1.0 + x190 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x190 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x189, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x189 + t3new += einsum(x190, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 + t3new += einsum(x190, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 + t3new += einsum(x190, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 + t3new += einsum(x190, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 + del x190 + x191 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x191 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovV, (4, 1, 2, 5), (3, 5, 0, 4)) + x192 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x192 += einsum(x191, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) * -1.0 + del x191 + t3new += einsum(x192, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x192, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x192 + x193 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) + x193 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovV, (0, 1, 4, 5), (3, 5, 2, 4)) + x194 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x194 += einsum(x193, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + del x193 + t3new += einsum(x194, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.25 + t3new += einsum(x194, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.25 + del x194 + x195 = np.zeros((navir, navir), dtype=np.float64) + x195 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovV, (0, 1, 2, 4), (3, 4)) + t3new += einsum(x195, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -0.5 + del x195 + x196 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x196 += einsum(v.oOvv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 1, 5, 3, 6), (6, 4, 5, 2)) * -1.0 + x197 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x197 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x196, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x196 + t3new += einsum(x197, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 + t3new += einsum(x197, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 + t3new += einsum(x197, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 + t3new += einsum(x197, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 + del x197 + x198 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x198 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oOvv, (4, 5, 2, 3), (1, 5, 0, 4)) + x199 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x199 += einsum(x198, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + del x198 + t3new += einsum(x199, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.25 + t3new += einsum(x199, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.25 + del x199 + x200 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x200 += einsum(v.oOvv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 2, 3, 6), (6, 4, 5, 0)) * -1.0 + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x200, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * 0.5 + del x200 + x201 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) + x201 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oOvv, (0, 4, 5, 3), (1, 4, 2, 5)) + x202 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x202 += einsum(x201, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) * -1.0 + del x201 + t3new += einsum(x202, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x202, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x202 + x203 = np.zeros((naocc, naocc), dtype=np.float64) + x203 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oOvv, (0, 4, 2, 3), (1, 4)) + t3new += einsum(x203, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -0.5 + del x203 + x204 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) + x204 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oOvV, (4, 5, 2, 6), (1, 5, 3, 6, 0, 4)) + x205 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x205 += einsum(t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x204, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) + del x204 + t3new += einsum(x205, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 + t3new += einsum(x205, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 + del x205 + x206 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x206 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x33, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x33 + t3new += einsum(x206, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 + t3new += einsum(x206, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 + del x206 + x207 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x207 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oOvV, (0, 4, 2, 5), (1, 4, 3, 5)) + t3new += einsum(x207, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) + del x207 + x208 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) + x208 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovO, (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 + x209 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x209 += einsum(t1[np.ix_(so,sv)], (0, 1), x208, (2, 3, 4, 0), (2, 3, 4, 1)) + del x208 + x210 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x210 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x209, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) + del x209 + t3new += einsum(x210, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x210, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x210, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x210, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x210 + x211 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x211 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovO, (4, 5, 2, 6), (6, 3, 0, 1, 4, 5)) + x212 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x212 += einsum(t1[np.ix_(so,sv)], (0, 1), x211, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x211 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x212, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x212 + x213 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x213 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x21, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) * -1.0 + del x21 + x214 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x214 += einsum(t1[np.ix_(so,sv)], (0, 1), x213, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x213 + t3new += einsum(x214, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x214, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x214, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x214, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x214 + x215 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x215 += einsum(t1[np.ix_(so,sv)], (0, 1), x153, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 6, 1)) + del x153 + x216 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x216 += einsum(t1[np.ix_(so,sv)], (0, 1), x215, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 6, 1)) * -1.0 + del x215 + t3new += einsum(x216, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x216, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x216 + x217 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x217 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x44, (4, 5, 0, 6), (1, 3, 5, 4, 2, 6)) * -1.0 + del x44 + t3new += einsum(x217, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x217, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x217 + x218 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x218 += einsum(t1[np.ix_(so,sv)], (0, 1), x161, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) + del x161 + x219 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x219 += einsum(t1[np.ix_(so,sv)], (0, 1), x218, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x218 + t3new += einsum(x219, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x219, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x219, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x219, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x219 + x220 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x220 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvv, (2, 3, 4, 1), (3, 0, 2, 4)) * -1.0 + x221 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x221 += einsum(t1[np.ix_(so,sv)], (0, 1), x220, (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x221, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -1.0 + del x221 + x222 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x222 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x220, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) + del x220 + x223 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x223 += einsum(t1[np.ix_(so,sv)], (0, 1), x222, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x222 + t3new += einsum(x223, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x223, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x223, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x223, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x223 + x224 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x224 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oovO, (2, 0, 3, 4), (4, 1, 2, 3)) * -1.0 + x225 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x225 += einsum(t1[np.ix_(so,sv)], (0, 1), x224, (2, 3, 4, 1), (2, 3, 0, 4)) + x226 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x226 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x225, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 + del x225 + t3new += einsum(x226, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x226, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x226 + x227 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x227 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x224, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x224 + x228 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x228 += einsum(t1[np.ix_(so,sv)], (0, 1), x227, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 + del x227 + t3new += einsum(x228, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x228, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x228 + x229 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x229 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ooov, (2, 0, 3, 4), (1, 2, 3, 4)) + x230 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x230 += einsum(t1[np.ix_(so,sv)], (0, 1), x229, (2, 3, 4, 1), (2, 0, 3, 4)) + x231 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x231 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x230, (4, 5, 0, 6), (1, 4, 5, 6, 2, 3)) + del x230 + t3new += einsum(x231, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x231, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x231 + x232 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x232 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x229, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + del x229 + x233 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x233 += einsum(t1[np.ix_(so,sv)], (0, 1), x232, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) * -1.0 + del x232 + t3new += einsum(x233, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x233, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x233, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x233, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x233 + x234 = np.zeros((navir, nvir, nvir, nvir), dtype=np.float64) + x234 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvv, (0, 2, 3, 4), (1, 2, 3, 4)) + x235 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x235 += einsum(t1[np.ix_(so,sv)], (0, 1), x234, (2, 3, 4, 1), (2, 0, 3, 4)) + del x234 + x236 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x236 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x235, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) + del x235 + t3new += einsum(x236, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x236, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x236, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x236, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + del x236 + x237 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) + x237 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) + x238 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x238 += einsum(t1[np.ix_(so,sv)], (0, 1), x237, (2, 3, 0, 4), (2, 3, 4, 1)) + del x237 + x239 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x239 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x238, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) + del x238 + t3new += einsum(x239, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x239, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x239, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x239, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x239 + x240 = np.zeros((naocc, nocc, nvir, nvir), dtype=np.float64) + x240 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) + x241 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x241 += einsum(t1[np.ix_(so,sv)], (0, 1), x240, (2, 3, 4, 1), (2, 0, 3, 4)) * -1.0 + x242 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x242 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x241, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 + del x241 + t3new += einsum(x242, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x242, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x242, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x242, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x242 + x243 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x243 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x240, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) + del x240 + x244 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x244 += einsum(t1[np.ix_(so,sv)], (0, 1), x243, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x243 + t3new += einsum(x244, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x244, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x244 + x245 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x245 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oVvv, (2, 3, 4, 1), (0, 3, 2, 4)) * -1.0 + x246 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x246 += einsum(t1[np.ix_(so,sv)], (0, 1), x245, (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 + x247 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x247 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x246, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x246 + t3new += einsum(x247, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x247, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x247 + x248 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x248 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x245, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 + del x245 + x249 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x249 += einsum(t1[np.ix_(so,sv)], (0, 1), x248, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x248 + t3new += einsum(x249, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x249, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x249 + x250 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x250 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ooov, (4, 0, 5, 3), (2, 1, 4, 5)) + x251 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x251 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x250, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) * -1.0 + del x250 + t3new += einsum(x251, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x251, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x251 + x252 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x252 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ovvv, (0, 4, 5, 3), (2, 1, 4, 5)) + x253 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x253 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x252, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) * -1.0 + del x252 + t3new += einsum(x253, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x253, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x253 + x254 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x254 += einsum(x3, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) + x255 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x255 += einsum(t1[np.ix_(so,sv)], (0, 1), x254, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x254 + t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x255 + x256 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x256 += einsum(x6, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 + del x6 + t3new += einsum(x256, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x256, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x256 + x257 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x257 += einsum(t1[np.ix_(so,sv)], (0, 1), x186, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x186 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x257, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 0.5 + del x257 + x258 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x258 += einsum(x5, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 + x259 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x259 += einsum(t1[np.ix_(so,sv)], (0, 1), x258, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x258 + t3new += einsum(x259, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x259, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x259 + x260 = np.zeros((navir, navir, nocc, nvir), dtype=np.float64) + x260 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oovV, (2, 0, 3, 4), (1, 4, 2, 3)) * -1.0 + x261 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x261 += einsum(t1[np.ix_(so,sv)], (0, 1), x260, (2, 3, 4, 1), (2, 3, 0, 4)) + x262 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x262 += einsum(x261, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) * -1.0 + del x261 + t3new += einsum(x262, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x262, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x262 + x263 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x263 += einsum(x260, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + del x260 + x264 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x264 += einsum(t1[np.ix_(so,sv)], (0, 1), x263, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 + del x263 + t3new += einsum(x264, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 + t3new += einsum(x264, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + del x264 + x265 = np.zeros((navir, nocc), dtype=np.float64) + x265 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovV, (2, 0, 1, 3), (3, 2)) * -1.0 + x266 = np.zeros((navir, navir), dtype=np.float64) + x266 += einsum(t1[np.ix_(so,sV)], (0, 1), x265, (2, 0), (1, 2)) + del x265 + t3new += einsum(x266, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -1.0 + del x266 + x267 = np.zeros((naocc, naocc, nocc, nvir), dtype=np.float64) + x267 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oOvv, (2, 3, 4, 1), (0, 3, 2, 4)) * -1.0 + x268 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x268 += einsum(t1[np.ix_(so,sv)], (0, 1), x267, (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 + x269 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x269 += einsum(x268, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + del x268 + t3new += einsum(x269, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x269, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 + del x269 + x270 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x270 += einsum(x267, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) * -1.0 + del x267 + x271 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x271 += einsum(t1[np.ix_(so,sv)], (0, 1), x270, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x270 + t3new += einsum(x271, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x271, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x271 + x272 = np.zeros((naocc, nvir), dtype=np.float64) + x272 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvv, (0, 2, 3, 1), (2, 3)) * -1.0 + x273 = np.zeros((naocc, naocc), dtype=np.float64) + x273 += einsum(t1[np.ix_(sO,sv)], (0, 1), x272, (2, 1), (0, 2)) + del x272 + t3new += einsum(x273, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -1.0 + del x273 + x274 = np.zeros((naocc, naocc, navir, nocc), dtype=np.float64) + x274 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oOvV, (2, 3, 1, 4), (0, 3, 4, 2)) + x275 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x275 += einsum(t1[np.ix_(so,sV)], (0, 1), x274, (2, 3, 4, 0), (2, 3, 1, 4)) + del x274 + t3new += einsum(x275, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -1.0 + del x275 + x276 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x276 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x47, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x47 + t3new += einsum(x276, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x276, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x276, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x276, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x276 + x277 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x277 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oovv, (4, 0, 5, 2), (1, 3, 4, 5)) + x278 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x278 += einsum(t1[np.ix_(so,sv)], (0, 1), x277, (2, 3, 4, 1), (2, 3, 0, 4)) + x279 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x279 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x278, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 + del x278 + t3new += einsum(x279, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x279, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x279 + x280 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x280 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oovv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + x281 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x281 += einsum(t1[np.ix_(so,sv)], (0, 1), x280, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 6, 5)) * -1.0 + x282 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x282 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x281, (4, 5, 6, 7, 1, 0), (4, 5, 6, 7, 2, 3)) * -1.0 + t3new += einsum(x282, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 + t3new += einsum(x282, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 + del x282 + x283 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x283 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x3, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 + x284 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x284 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x283, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) + del x283 + t3new += einsum(x284, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x284, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x284, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x284, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + del x284 + x285 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x285 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovv, (4, 1, 5, 2), (3, 0, 4, 5)) * -1.0 + x286 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x286 += einsum(t1[np.ix_(so,sv)], (0, 1), x285, (2, 3, 4, 1), (2, 0, 3, 4)) + x287 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x287 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x286, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x286 + t3new += einsum(x287, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x287, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x287 + x288 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x288 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x3, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 + del x3 + x289 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x289 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x288, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) + del x288 + t3new += einsum(x289, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x289, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 + t3new += einsum(x289, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 + t3new += einsum(x289, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 0.5 + del x289 + x290 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x290 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x280, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) * -1.0 + del x280 + x291 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x291 += einsum(t1[np.ix_(so,sv)], (0, 1), x290, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x290 + t3new += einsum(x291, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x291, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x291, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x291, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x291 + x292 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x292 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x277, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 + del x277 + x293 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x293 += einsum(t1[np.ix_(so,sv)], (0, 1), x292, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x292 + t3new += einsum(x293, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x293, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x293 + x294 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x294 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x41, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) * -1.0 + del x41 + x295 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x295 += einsum(t1[np.ix_(so,sv)], (0, 1), x294, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x294 + t3new += einsum(x295, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 + t3new += einsum(x295, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 + del x295 + x296 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) + x296 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 5, 2, 3), (1, 0, 4, 5)) * -1.0 + x297 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x297 += einsum(t1[np.ix_(so,sv)], (0, 1), x296, (2, 3, 4, 0), (2, 3, 4, 1)) + del x296 + x298 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x298 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x297, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) + del x297 + t3new += einsum(x298, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 + t3new += einsum(x298, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 + t3new += einsum(x298, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x298, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 + del x298 + x299 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x299 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x285, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + del x285 + x300 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x300 += einsum(t1[np.ix_(so,sv)], (0, 1), x299, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x299 + t3new += einsum(x300, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x300, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x300, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x300, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x300 + x301 = np.zeros((naocc, nocc, nvir, nvir), dtype=np.float64) + x301 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 0, 5, 3), (1, 4, 2, 5)) * -1.0 + x302 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x302 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x301, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) + del x301 + x303 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x303 += einsum(t1[np.ix_(so,sv)], (0, 1), x302, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x302 + t3new += einsum(x303, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x303, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x303 + x304 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x304 += einsum(x5, (0, 1), t2[np.ix_(so,sO,sv,sV)], (2, 3, 1, 4), (3, 4, 2, 0)) * -1.0 + x305 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x305 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x304, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 + del x304 + t3new += einsum(x305, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x305, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x305 + x306 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x306 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x51, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) * -1.0 + del x51 + t3new += einsum(x306, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x306, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x306 + x307 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x307 += einsum(x5, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 4, 1), (3, 2, 0, 4)) + x308 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x308 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x307, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) + del x307 + t3new += einsum(x308, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x308, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x308, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x308, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x308 + x309 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x309 += einsum(x5, (0, 1), t2[np.ix_(so,so,sv,sV)], (2, 3, 1, 4), (4, 2, 3, 0)) + del x5 + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x309, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) + del x309 + x310 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x310 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oovv, (2, 0, 3, 4), (1, 2, 3, 4)) + x311 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x311 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x310, (4, 1, 3, 5), (4, 0, 2, 5)) + x312 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x312 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x311, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x311 + t3new += einsum(x312, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x312, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x312 + x313 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x313 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x310, (4, 5, 2, 3), (1, 4, 0, 5)) * -1.0 + x314 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x314 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x313, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 + del x313 + t3new += einsum(x314, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 + t3new += einsum(x314, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + del x314 + x315 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x315 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x310, (4, 0, 3, 5), (1, 4, 2, 5)) * -1.0 + x316 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x316 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x315, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 + del x315 + t3new += einsum(x316, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x316, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x316 + x317 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x317 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x310, (4, 5, 2, 3), (4, 0, 1, 5)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x317, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -0.5 + del x317 + x318 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x318 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) + x319 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x319 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x318, (4, 1, 5, 3), (4, 0, 5, 2)) + x320 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x320 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x319, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x319 + t3new += einsum(x320, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x320, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x320, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x320, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x320 + x321 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x321 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x318, (4, 1, 5, 2), (4, 3, 0, 5)) * -1.0 + x322 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x322 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x321, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 + del x321 + t3new += einsum(x322, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x322, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x322 + x323 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x323 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x318, (4, 0, 1, 5), (4, 3, 2, 5)) * -1.0 + x324 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x324 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x323, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 + del x323 + t3new += einsum(x324, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x324, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 + del x324 + x325 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x325 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x318, (4, 0, 1, 5), (4, 2, 3, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x325, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * -0.5 + del x325 + x326 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x326 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x46, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) + del x46 + x327 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x327 += einsum(t1[np.ix_(so,sv)], (0, 1), x326, (2, 3, 4, 5, 0, 6), (2, 3, 5, 4, 1, 6)) * -1.0 + del x326 + t3new += einsum(x327, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x327, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x327 + x328 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x328 += einsum(t1[np.ix_(so,sv)], (0, 1), x281, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x281 + x329 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x329 += einsum(t1[np.ix_(so,sv)], (0, 1), x328, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 6, 1)) * -1.0 + del x328 + t3new += einsum(x329, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x329, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x329 + x330 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x330 += einsum(t1[np.ix_(so,sv)], (0, 1), x310, (2, 3, 1, 4), (2, 0, 3, 4)) * -1.0 + del x310 + x331 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x331 += einsum(t1[np.ix_(so,sv)], (0, 1), x330, (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x331, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -1.0 + del x331 + x332 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x332 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x330, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) + del x330 + x333 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x333 += einsum(t1[np.ix_(so,sv)], (0, 1), x332, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 + del x332 + t3new += einsum(x333, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x333, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x333, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x333, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x333 + x334 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) + x334 += einsum(t1[np.ix_(so,sv)], (0, 1), x318, (2, 3, 4, 1), (2, 0, 4, 3)) + x335 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x335 += einsum(t1[np.ix_(so,sv)], (0, 1), x334, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 + del x334 + x336 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x336 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x335, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) + del x335 + t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x336 + x337 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x337 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x318, (4, 5, 6, 2), (4, 3, 0, 1, 6, 5)) * -1.0 + del x318 + x338 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x338 += einsum(t1[np.ix_(so,sv)], (0, 1), x337, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x337 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x338, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x338 + x339 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x339 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.oovv, (4, 0, 5, 3), (2, 1, 4, 5)) + x340 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x340 += einsum(t1[np.ix_(so,sv)], (0, 1), x339, (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 + x341 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x341 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x340, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 + del x340 + t3new += einsum(x341, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x341, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x341 + x342 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x342 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x339, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 + del x339 + x343 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x343 += einsum(t1[np.ix_(so,sv)], (0, 1), x342, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 + del x342 + t3new += einsum(x343, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x343, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x343 + + return {"t1new": t1new, "t2new": t2new, "t3new": t3new} + diff --git a/ebcc/codegen/RCCSDt.py b/ebcc/codegen/RCCSDt.py new file mode 100644 index 00000000..16560f96 --- /dev/null +++ b/ebcc/codegen/RCCSDt.py @@ -0,0 +1,3123 @@ +# Code generated for ebcc. + +from ebcc import numpy as np +from ebcc.util import pack_2e, einsum, Namespace +from ebcc.precision import types + +def energy(f=None, v=None, nocc=None, nvir=None, t1=None, t2=None, t3=None, **kwargs): + # energy + x0 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x0 += einsum(v.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) * -0.5 + x0 += einsum(v.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) + e_cc = 0 + e_cc += einsum(t2, (0, 1, 2, 3), x0, (0, 1, 2, 3), ()) * 2.0 + del x0 + x1 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x1 += einsum(v.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) + x1 += einsum(v.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) * -0.5 + x2 = np.zeros((nocc, nvir), dtype=np.float64) + x2 += einsum(f.ov, (0, 1), (0, 1)) + x2 += einsum(t1, (0, 1), x1, (0, 2, 3, 1), (2, 3)) + del x1 + e_cc += einsum(t1, (0, 1), x2, (0, 1), ()) * 2.0 + del x2 + + return e_cc + +def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs): + nocc = space.ncocc + nvir = space.ncvir + naocc = space.naocc + navir = space.navir + so = np.ones((nocc,), dtype=bool) + sv = np.ones((nvir,), dtype=bool) + sO = space.active[space.correlated][space.occupied[space.correlated]] + sV = space.active[space.correlated][space.virtual[space.correlated]] + + # T amplitudes + t1new = np.zeros((nocc, nvir), dtype=np.float64) + t1new[np.ix_(so,sv)] += einsum(f.ov, (0, 1), (0, 1)) + t1new[np.ix_(so,sv)] += einsum(f.oo, (0, 1), t1[np.ix_(so,sv)], (1, 2), (0, 2)) * -1.0 + t1new[np.ix_(so,sv)] += einsum(f.vv, (0, 1), t1[np.ix_(so,sv)], (2, 1), (2, 0)) + t1new[np.ix_(so,sv)] += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 1), (2, 3)) * 2.0 + t1new[np.ix_(so,sv)] += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 1, 3), (2, 3)) * -1.0 + t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovv, (2, 0, 3, 1), (2, 3)) * -1.0 + t1new[np.ix_(so,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvv, (1, 2, 4, 3), (0, 4)) * -1.0 + t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 2, 5, 1, 3), (4, 5)) * 0.5 + t1new[np.ix_(so,sv)] += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 3, 5, 2, 1), (4, 5)) * -0.5 + t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 2, 1, 5, 3), (4, 5)) * -0.25 + t1new[np.ix_(so,sv)] += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 3, 2, 5, 1), (4, 5)) * 0.25 + t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 2, 5, 1, 3), (4, 5)) + t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 4, 2, 1, 5, 3), (4, 5)) * 0.25 + t1new[np.ix_(so,sv)] += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 4, 3, 2, 5, 1), (4, 5)) * -0.25 + t2new = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + t2new[np.ix_(so,so,sv,sv)] += einsum(v.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oooo, (4, 1, 5, 0), (4, 5, 3, 2)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.vvvv, (4, 2, 5, 3), (0, 1, 4, 5)) + t3new = np.zeros((nocc, nocc, naocc, nvir, nvir, navir), dtype=np.float64) + t3new += einsum(f.oo, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -1.0 + t3new += einsum(f.oo, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -1.0 + t3new += einsum(f.OO, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -1.0 + t3new += einsum(f.vv, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) + t3new += einsum(f.vv, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) + t3new += einsum(f.VV, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovO, (4, 1, 5, 6), (4, 0, 6, 5, 2, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovO, (4, 0, 5, 6), (1, 4, 6, 5, 2, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (4, 5, 0, 6), (1, 4, 6, 2, 5, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oOoV, (1, 4, 5, 6), (5, 0, 4, 3, 2, 6)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oooV, (4, 0, 5, 6), (5, 4, 1, 3, 2, 6)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (4, 5, 2, 6), (0, 4, 1, 3, 5, 6)) * -1.0 + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvv, (4, 5, 6, 3), (4, 0, 1, 6, 2, 5)) * -1.0 + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvv, (4, 5, 6, 2), (4, 0, 1, 3, 6, 5)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.vvvO, (4, 2, 5, 6), (1, 0, 6, 5, 4, 3)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.vOvV, (4, 5, 2, 6), (0, 1, 5, 4, 3, 6)) * -1.0 + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 6), (4, 5, 1, 3, 6, 2)) + t3new += einsum(v.ooOO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 3, 5, 6, 7), (0, 4, 2, 5, 6, 7)) * 0.5 + t3new += einsum(v.oOoO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 1, 5, 6, 7), (0, 4, 3, 5, 6, 7)) * -0.5 + t3new += einsum(v.ooOO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 3, 5, 6, 7), (4, 0, 2, 5, 6, 7)) + t3new += einsum(v.oooo, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) + t3new += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -1.0 + t3new += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -1.0 + t3new += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -1.0 + t3new += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -1.0 + t3new += einsum(v.ooVV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 2)) * -1.0 + t3new += einsum(v.ooVV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 7, 3), (4, 0, 5, 6, 7, 2)) * -1.0 + t3new += einsum(v.oVoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 1)) + t3new += einsum(v.vOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 3, 2, 6, 7), (4, 5, 1, 0, 6, 7)) + t3new += einsum(v.vvOO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 3, 1, 6, 7), (4, 5, 2, 0, 6, 7)) * -1.0 + t3new += einsum(v.vvOO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 3, 6, 1, 7), (4, 5, 2, 6, 0, 7)) * -1.0 + t3new += einsum(v.OOVV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -1.0 + t3new += einsum(v.vvvv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) + t3new += einsum(v.vvVV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) * 0.5 + t3new += einsum(v.vVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 2, 7, 1), (4, 5, 6, 0, 7, 3)) * -0.5 + t3new += einsum(v.vvVV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 1, 3), (4, 5, 6, 7, 0, 2)) + t3new += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 2, 5, 6, 7, 3), (4, 0, 5, 6, 1, 7)) * -1.0 + t3new += einsum(v.vOOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 2, 6, 7, 3), (5, 4, 1, 0, 6, 7)) * -1.0 + t3new += einsum(v.oVOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 7, 6, 1)) * -1.0 + t3new += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 1, 6, 7)) + x0 = np.zeros((nocc, nvir), dtype=np.float64) + x0 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 3, 0, 1), (2, 3)) + t1new[np.ix_(so,sv)] += einsum(x0, (0, 1), (0, 1)) * 2.0 + t1new[np.ix_(so,sv)] += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 1), (2, 3)) * 4.0 + t1new[np.ix_(so,sv)] += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 1, 3), (2, 3)) * -2.0 + x1 = np.zeros((nocc, nvir), dtype=np.float64) + x1 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 1, 3), (4, 2)) + t1new[np.ix_(so,sv)] += einsum(x1, (0, 1), (0, 1)) * -1.5 + t1new[np.ix_(so,sv)] += einsum(x1, (0, 1), (0, 1)) * -0.5 + del x1 + x2 = np.zeros((nocc, nvir), dtype=np.float64) + x2 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 1, 2), (4, 3)) + t1new[np.ix_(so,sv)] += einsum(x2, (0, 1), (0, 1)) * 0.5 + t1new[np.ix_(so,sv)] += einsum(x2, (0, 1), (0, 1)) * 0.5 + del x2 + x3 = np.zeros((nocc, nvir), dtype=np.float64) + x3 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvv, (1, 3, 4, 2), (0, 4)) + t1new[np.ix_(so,sv)] += einsum(x3, (0, 1), (0, 1)) + t1new[np.ix_(so,sv)] += einsum(x3, (0, 1), (0, 1)) + del x3 + x4 = np.zeros((nocc, nocc), dtype=np.float64) + x4 += einsum(f.ov, (0, 1), t1[np.ix_(so,sv)], (2, 1), (0, 2)) + t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x4, (0, 2), (2, 1)) * -1.0 + t3new += einsum(x4, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 2, 3, 4, 5, 6), (1, 2, 3, 4, 5, 6)) * -1.0 + t3new += einsum(x4, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 0, 3, 4, 5, 6), (2, 1, 3, 4, 5, 6)) * -1.0 + x5 = np.zeros((nocc, nocc), dtype=np.float64) + x5 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 0, 3, 1), (2, 3)) + t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x5, (2, 0), (2, 1)) + t3new += einsum(x5, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) + t3new += einsum(x5, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) + x6 = np.zeros((nocc, nocc), dtype=np.float64) + x6 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 3, 0, 1), (2, 3)) + t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x6, (2, 0), (2, 1)) * -2.0 + t3new += einsum(x6, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new += einsum(x6, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + x7 = np.zeros((nvir, nvir), dtype=np.float64) + x7 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (0, 2, 3, 1), (2, 3)) + t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x7, (1, 2), (0, 2)) * -1.0 + t3new += einsum(x7, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 0, 5, 6), (2, 3, 4, 1, 5, 6)) * -1.0 + t3new += einsum(x7, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 + x8 = np.zeros((nvir, nvir), dtype=np.float64) + x8 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (0, 1, 2, 3), (2, 3)) + t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x8, (2, 1), (0, 2)) * 2.0 + t3new += einsum(x8, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 + t3new += einsum(x8, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 + x9 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x9 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x9, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) + x10 = np.zeros((nocc, nvir), dtype=np.float64) + x10 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 0, 1, 2), (4, 3)) + t1new[np.ix_(so,sv)] += einsum(x10, (0, 1), (0, 1)) * -1.5 + t1new[np.ix_(so,sv)] += einsum(x10, (0, 1), (0, 1)) * -0.5 + del x10 + x11 = np.zeros((nocc, nvir), dtype=np.float64) + x11 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 0, 1, 3), (4, 2)) + t1new[np.ix_(so,sv)] += einsum(x11, (0, 1), (0, 1)) * 0.5 + t1new[np.ix_(so,sv)] += einsum(x11, (0, 1), (0, 1)) * 0.5 + del x11 + x12 = np.zeros((nocc, nocc), dtype=np.float64) + x12 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 2, 1, 3), (0, 4)) + t3new += einsum(x12, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + x13 = np.zeros((nocc, nvir), dtype=np.float64) + x13 += einsum(t1[np.ix_(so,sv)], (0, 1), x12, (2, 0), (2, 1)) + t1new[np.ix_(so,sv)] += einsum(x13, (0, 1), (0, 1)) * -1.0 + t1new[np.ix_(so,sv)] += einsum(x13, (0, 1), (0, 1)) * -1.0 + del x13 + x14 = np.zeros((nocc, nocc), dtype=np.float64) + x14 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 1, 2), (0, 4)) + t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x14, (2, 0), (2, 1)) + t3new += einsum(x14, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) + t3new += einsum(x14, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) + x15 = np.zeros((nocc, nvir), dtype=np.float64) + x15 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 1, 0, 3), (2, 3)) + t1new[np.ix_(so,sv)] += einsum(x15, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 1), (2, 3)) * -2.0 + t1new[np.ix_(so,sv)] += einsum(x15, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 1, 3), (2, 3)) + x16 = np.zeros((nocc, nocc), dtype=np.float64) + x16 += einsum(t1[np.ix_(so,sv)], (0, 1), x15, (2, 1), (0, 2)) + t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x16, (2, 0), (2, 1)) + t3new += einsum(x16, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) + t3new += einsum(x16, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) + x17 = np.zeros((nocc, nocc), dtype=np.float64) + x17 += einsum(t1[np.ix_(so,sv)], (0, 1), x0, (2, 1), (0, 2)) + t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x17, (2, 0), (2, 1)) * -2.0 + t3new += einsum(x17, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new += einsum(x17, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + x18 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x18 += einsum(f.oo, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (0, 2, 3, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x18, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x18, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + del x18 + x19 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x19 += einsum(f.vv, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 0, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (0, 1, 3, 2)) + del x19 + x20 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x20 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 0, 3, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x20, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x20, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x20 + x21 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x21 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x21, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x21, (0, 1, 2, 3), (1, 0, 2, 3)) + t3new += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 2, 6, 7), (0, 4, 5, 3, 6, 7)) + t3new += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 2, 6, 7), (4, 0, 5, 6, 3, 7)) * -1.0 + t3new += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 2, 7), (4, 0, 5, 6, 3, 7)) * 2.0 + x22 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x22 += einsum(f.OV, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x22, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x22, (0, 1, 2, 3), (1, 0, 3, 2)) + del x22 + x23 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x23 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 1, 5, 3), (0, 4, 2, 5)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x23, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x23, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x23 + x24 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x24 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 1, 5, 2), (0, 4, 3, 5)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + del x24 + x25 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x25 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x25, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x25, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x25, (4, 1, 5, 3), (4, 0, 5, 2)) * 4.0 + del x25 + x26 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x26 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 1, 2), (0, 4, 3, 5)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x26, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x26, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x26, (4, 1, 5, 2), (4, 0, 5, 3)) + x27 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x27 += einsum(v.ooOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 2, 5, 6, 3), (4, 0, 5, 6)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + del x27 + x28 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x28 += einsum(v.ooOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 2, 5, 6, 3), (4, 0, 5, 6)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x28, (0, 1, 2, 3), (1, 0, 2, 3)) * -0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x28, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 + del x28 + x29 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x29 += einsum(v.oovO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 3, 2, 5, 6), (6, 4, 0, 5)) + t2new[np.ix_(so,so,sV,sv)] += einsum(x29, (0, 1, 2, 3), (2, 1, 0, 3)) * 0.5 + t2new[np.ix_(so,so,sv,sV)] += einsum(x29, (0, 1, 2, 3), (1, 2, 3, 0)) * 0.5 + del x29 + x30 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x30 += einsum(v.vOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 0, 6, 3), (4, 5, 6, 2)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x30, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x30, (0, 1, 2, 3), (1, 0, 2, 3)) * -0.5 + del x30 + x31 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x31 += einsum(v.vvOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 2, 1, 6, 3), (4, 5, 6, 0)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x31, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x31, (0, 1, 2, 3), (1, 0, 2, 3)) * 0.5 + del x31 + x32 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x32 += einsum(v.vvOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 2, 6, 1, 3), (4, 5, 6, 0)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x32, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x32, (0, 1, 2, 3), (1, 0, 3, 2)) + del x32 + x33 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x33 += einsum(x4, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 4), (1, 2, 3, 4)) + del x4 + t2new[np.ix_(so,so,sv,sv)] += einsum(x33, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x33, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + del x33 + x34 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x34 += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (0, 2, 3, 4)) + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x34, (0, 4, 5, 6), (5, 4, 1, 3, 6, 2)) + x35 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x35 += einsum(t1[np.ix_(so,sv)], (0, 1), x34, (0, 2, 3, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x35, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x35, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + del x35 + x36 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x36 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x36, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) + x37 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x37 += einsum(t1[np.ix_(so,sv)], (0, 1), x36, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x37, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x37, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + del x37 + x38 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x38 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooo, (2, 3, 4, 0), (2, 3, 4, 1)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x38, (2, 0, 3, 4), (3, 2, 4, 1)) + del x38 + x39 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x39 += einsum(t1[np.ix_(so,sv)], (0, 1), x9, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x39, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x39, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x39 + x40 = np.zeros((nocc, nvir, nvir, nvir), dtype=np.float64) + x40 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x40, (2, 3, 1, 4), (0, 2, 3, 4)) + del x40 + x41 = np.zeros((nocc, nocc, nocc, nocc), dtype=np.float64) + x41 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) + t3new += einsum(x41, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 2, 4, 5, 6, 7), (0, 1, 4, 5, 6, 7)) + t3new += einsum(x41, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) + x42 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x42 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x41, (4, 5, 0, 1), (4, 5, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x42, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x42, (0, 1, 2, 3), (1, 0, 2, 3)) + del x42 + x43 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x43 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 1, 5, 2), (0, 4, 5, 3)) + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x43, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * -1.0 + x44 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x44 += einsum(t1[np.ix_(so,sv)], (0, 1), x43, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x44, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x44, (0, 1, 2, 3), (1, 0, 3, 2)) + del x44 + x45 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x45 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x45, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * 2.0 + x46 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x46 += einsum(t1[np.ix_(so,sv)], (0, 1), x45, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x46, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x46, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + del x46 + x47 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x47 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 1, 2), (0, 4, 5, 3)) + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x47, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * -1.0 + x48 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x48 += einsum(t1[np.ix_(so,sv)], (0, 1), x47, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (0, 1, 3, 2)) + del x48 + x49 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x49 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x49, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * -1.0 + x50 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x50 += einsum(t1[np.ix_(so,sv)], (0, 1), x49, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x50, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x50, (0, 1, 2, 3), (0, 1, 3, 2)) + del x50 + x51 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x51 += einsum(x5, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (2, 0, 3, 4)) + del x5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x51, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x51, (0, 1, 2, 3), (1, 0, 3, 2)) + del x51 + x52 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x52 += einsum(x6, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (2, 0, 3, 4)) + del x6 + t2new[np.ix_(so,so,sv,sv)] += einsum(x52, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x52, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x52 + x53 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x53 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) + t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -1.0 + t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -1.0 + t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -1.0 + t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -1.0 + x54 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x54 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x53, (4, 1, 5, 3), (4, 0, 2, 5)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x54, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x54, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + del x54 + x55 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x55 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x53, (4, 1, 5, 2), (4, 0, 3, 5)) + del x53 + t2new[np.ix_(so,so,sv,sv)] += einsum(x55, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x55, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x55 + x56 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x56 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x21, (4, 1, 3, 5), (4, 0, 2, 5)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x56, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x56, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 + del x56 + x57 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x57 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x21, (4, 1, 2, 5), (4, 0, 3, 5)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x57, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x57, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + del x57 + x58 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x58 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvv, (4, 2, 5, 3), (0, 1, 4, 5)) + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x58, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) + x59 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x59 += einsum(t1[np.ix_(so,sv)], (0, 1), x58, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x59, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x59, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x59 + x60 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x60 += einsum(x8, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 4, 0)) + del x8 + t2new[np.ix_(so,so,sv,sv)] += einsum(x60, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x60, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x60 + x61 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x61 += einsum(x7, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 0), (2, 3, 4, 1)) + del x7 + t2new[np.ix_(so,so,sv,sv)] += einsum(x61, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x61, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x61 + x62 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x62 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x62, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 0, 5, 6, 1), (2, 4, 6, 5)) * -1.0 + x63 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x63 += einsum(x62, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x63, (0, 1, 2, 3), (0, 1, 2, 3)) * -0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x63, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 + del x63 + x64 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x64 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvO, (2, 3, 1, 4), (4, 3, 0, 2)) + x65 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x65 += einsum(x64, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) + del x64 + t2new[np.ix_(so,so,sv,sv)] += einsum(x65, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x65, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 + del x65 + x66 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x66 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x66, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 0, 5, 6, 1), (4, 2, 5, 6)) * -1.0 + del x66 + x67 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x67 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 2, 1, 6, 3), (4, 5, 0, 6)) + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x67, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * 0.5 + x68 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x68 += einsum(t1[np.ix_(so,sv)], (0, 1), x67, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x68, (0, 1, 2, 3), (0, 1, 2, 3)) * -0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x68, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 + del x68 + x69 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x69 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 3, 2, 6, 1), (4, 5, 0, 6)) + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x69, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * -0.5 + x70 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x70 += einsum(t1[np.ix_(so,sv)], (0, 1), x69, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x70, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x70, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 + del x70 + x71 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x71 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 2, 6, 1, 3), (4, 5, 0, 6)) + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x71, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) + x72 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x72 += einsum(t1[np.ix_(so,sv)], (0, 1), x71, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x72, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x72, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + del x72 + x73 = np.zeros((naocc, navir), dtype=np.float64) + x73 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOV, (0, 1, 2, 3), (2, 3)) + x74 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x74 += einsum(x73, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) + del x73 + t2new[np.ix_(so,so,sv,sv)] += einsum(x74, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x74, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x74 + x75 = np.zeros((naocc, navir), dtype=np.float64) + x75 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvO, (0, 2, 1, 3), (3, 2)) + x76 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x76 += einsum(x75, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) + del x75 + t2new[np.ix_(so,so,sv,sv)] += einsum(x76, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x76, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x76 + x77 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x77 += einsum(x14, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (2, 0, 3, 4)) + del x14 + t2new[np.ix_(so,so,sv,sv)] += einsum(x77, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x77, (0, 1, 2, 3), (1, 0, 3, 2)) + del x77 + x78 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x78 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x26, (4, 1, 5, 3), (0, 4, 2, 5)) + del x26 + t2new[np.ix_(so,so,sv,sv)] += einsum(x78, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x78, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x78 + x79 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x79 += einsum(x12, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (2, 0, 3, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x79, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x79, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x79, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x79 + x80 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x80 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x80, (4, 1, 5, 3), (4, 0, 5, 2)) * -2.0 + del x80 + x81 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x81 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 2, 1, 5), (0, 4, 3, 5)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x81, (4, 1, 5, 2), (4, 0, 3, 5)) + x82 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x82 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x81, (4, 1, 5, 3), (0, 4, 2, 5)) + del x81 + t2new[np.ix_(so,so,sv,sv)] += einsum(x82, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x82, (0, 1, 2, 3), (1, 0, 3, 2)) + del x82 + x83 = np.zeros((nvir, nvir), dtype=np.float64) + x83 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (0, 2, 1, 4), (3, 4)) + x84 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x84 += einsum(x83, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 4, 0)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x84, (0, 1, 2, 3), (0, 1, 2, 3)) * -0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x84, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x84, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x84, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 + del x84 + x85 = np.zeros((nvir, nvir), dtype=np.float64) + x85 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (0, 4, 1, 2), (3, 4)) + x86 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x86 += einsum(x85, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 4, 0)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x86, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x86, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x86, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(x86, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 + del x86 + x87 = np.zeros((nocc, nocc, nocc, nocc), dtype=np.float64) + x87 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 2, 5, 3), (0, 1, 4, 5)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x87, (4, 5, 0, 1), (5, 4, 3, 2)) + t3new += einsum(x87, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 2, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) + x88 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x88 += einsum(t1[np.ix_(so,sv)], (0, 1), x41, (2, 3, 4, 0), (2, 4, 3, 1)) + x89 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x89 += einsum(t1[np.ix_(so,sv)], (0, 1), x88, (2, 0, 3, 4), (2, 3, 1, 4)) + del x88 + t2new[np.ix_(so,so,sv,sv)] += einsum(x89, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x89, (0, 1, 2, 3), (1, 0, 2, 3)) + del x89 + x90 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x90 += einsum(t1[np.ix_(so,sv)], (0, 1), x21, (2, 3, 1, 4), (0, 2, 3, 4)) + del x21 + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x90, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) + x91 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x91 += einsum(t1[np.ix_(so,sv)], (0, 1), x90, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x91, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x91, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x91 + x92 = np.zeros((nocc, nocc, nocc, nocc), dtype=np.float64) + x92 += einsum(t1[np.ix_(so,sv)], (0, 1), x9, (2, 3, 4, 1), (2, 0, 4, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x92, (4, 5, 0, 1), (5, 4, 3, 2)) + t3new += einsum(x92, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 2, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) + x93 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x93 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 1, 5, 3), (4, 0, 5, 2)) + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x93, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * 2.0 + x94 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x94 += einsum(t1[np.ix_(so,sv)], (0, 1), x93, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x94, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x94, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x94 + x95 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x95 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 1, 5, 2), (4, 0, 5, 3)) + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x95, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * -1.0 + x96 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x96 += einsum(t1[np.ix_(so,sv)], (0, 1), x95, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x96, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x96, (0, 1, 2, 3), (1, 0, 3, 2)) + del x96 + x97 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x97 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 5, 1, 3), (4, 0, 5, 2)) + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x97, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * -1.0 + x98 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x98 += einsum(t1[np.ix_(so,sv)], (0, 1), x97, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x98, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x98, (0, 1, 2, 3), (1, 0, 3, 2)) + del x98 + x99 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x99 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 5, 1, 2), (4, 0, 5, 3)) + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x99, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * -1.0 + x100 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x100 += einsum(t1[np.ix_(so,sv)], (0, 1), x99, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x100, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x100, (0, 1, 2, 3), (1, 0, 2, 3)) + del x100 + x101 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x101 += einsum(x16, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (0, 2, 3, 4)) + del x16 + t2new[np.ix_(so,so,sv,sv)] += einsum(x101, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x101, (0, 1, 2, 3), (1, 0, 2, 3)) + del x101 + x102 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x102 += einsum(x17, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (0, 2, 3, 4)) + del x17 + t2new[np.ix_(so,so,sv,sv)] += einsum(x102, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x102, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 + del x102 + x103 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x103 += einsum(t1[np.ix_(so,sv)], (0, 1), x87, (2, 3, 0, 4), (3, 2, 4, 1)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x103, (2, 3, 0, 4), (3, 2, 4, 1)) + del x103 + x104 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x104 += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 0, 4)) + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x104, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * 2.0 + x105 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x105 += einsum(t1[np.ix_(so,sv)], (0, 1), x104, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x105, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x105, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + del x105 + x106 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x106 += einsum(x15, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 0, 4)) + t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x106, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * -1.0 + x107 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x107 += einsum(t1[np.ix_(so,sv)], (0, 1), x106, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x107, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x107, (0, 1, 2, 3), (0, 1, 3, 2)) + del x107 + x108 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x108 += einsum(t1[np.ix_(so,sv)], (0, 1), x92, (2, 3, 0, 4), (3, 2, 4, 1)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x108, (2, 3, 0, 4), (2, 3, 1, 4)) + del x108 + x109 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x109 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooOV, (4, 1, 5, 6), (5, 6, 0, 4, 2, 3)) + t3new += einsum(x109, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x109, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x109 + x110 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x110 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (4, 5, 1, 6), (6, 3, 0, 4, 2, 5)) + t3new += einsum(x110, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x110, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x110 + x111 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x111 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 6), (1, 3, 4, 5, 2, 6)) + t3new += einsum(x111, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x111, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x111 + x112 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x112 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (4, 5, 3, 6), (1, 6, 0, 4, 2, 5)) + t3new += einsum(x112, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x112, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x112 + x113 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x113 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + t3new += einsum(x113, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x113, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + x114 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x114 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.vvOV, (4, 3, 5, 6), (5, 6, 0, 1, 2, 4)) + t3new += einsum(x114, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x114, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x114 + x115 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x115 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovvv, (4, 5, 6, 3), (1, 2, 0, 4, 5, 6)) + t3new += einsum(x115, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x115, (4, 5, 6, 1, 3, 7), (6, 0, 4, 7, 2, 5)) * -2.0 + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x115, (4, 5, 6, 1, 2, 7), (6, 0, 4, 7, 3, 5)) + x116 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x116 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) + t3new += einsum(x116, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x116, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * 2.0 + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x116, (4, 5, 6, 1, 7, 2), (0, 6, 4, 3, 7, 5)) * -1.0 + del x116 + x117 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x117 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) + t3new += einsum(x117, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x117, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 4.0 + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x117, (4, 5, 6, 1, 7, 2), (6, 0, 4, 7, 3, 5)) * -2.0 + del x117 + x118 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x118 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) + t3new += einsum(x118, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x118, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -2.0 + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x118, (4, 5, 6, 1, 7, 2), (6, 0, 4, 7, 3, 5)) + del x118 + x119 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x119 += einsum(v.OVOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 2, 6, 7, 3), (0, 1, 4, 5, 6, 7)) + t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x119 + x120 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x120 += einsum(f.ov, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 1, 5, 6), (4, 6, 0, 2, 3, 5)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x120, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x120 + x121 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x121 += einsum(f.ov, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x121, (2, 3, 0, 4, 5, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x121 + x122 = np.zeros((navir, navir), dtype=np.float64) + x122 += einsum(f.oV, (0, 1), t1[np.ix_(so,sV)], (0, 2), (1, 2)) + t3new += einsum(x122, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -1.0 + del x122 + x123 = np.zeros((naocc, naocc), dtype=np.float64) + x123 += einsum(f.vO, (0, 1), t1[np.ix_(sO,sv)], (2, 0), (1, 2)) + t3new += einsum(x123, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -1.0 + del x123 + x124 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x124 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sv,sV)], (2, 3, 1, 4), (3, 4, 0, 2)) + x125 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x125 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x124, (4, 5, 1, 6), (4, 5, 6, 0, 2, 3)) + del x124 + t3new += einsum(x125, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x125, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x125 + x126 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x126 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x34, (0, 4, 5, 6), (1, 3, 4, 5, 2, 6)) + del x34 + t3new += einsum(x126, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x126, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + del x126 + x127 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x127 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 4, 1), (3, 0, 2, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x127, (4, 0, 5, 6), (1, 5, 4, 2, 6, 3)) + x128 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x128 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x127, (4, 1, 5, 6), (4, 3, 5, 0, 6, 2)) + del x127 + t3new += einsum(x128, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x128, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x128 + x129 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x129 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 1, 4), (3, 0, 2, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x129, (4, 1, 5, 6), (5, 0, 4, 6, 2, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x129, (4, 0, 5, 6), (1, 5, 4, 6, 2, 3)) + del x129 + x130 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x130 += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sV)], (2, 3, 1, 4), (4, 0, 3, 2)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x130, (4, 0, 5, 6), (5, 6, 1, 3, 2, 4)) + del x130 + x131 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x131 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sV,sv)], (2, 3, 4, 1), (3, 4, 0, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x131, (4, 5, 1, 6), (6, 0, 4, 3, 2, 5)) + del x131 + x132 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x132 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooO, (2, 0, 3, 4), (4, 3, 2, 1)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x132, (4, 0, 5, 6), (1, 5, 4, 2, 6, 3)) * -1.0 + x133 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x133 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x132, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) + del x132 + t3new += einsum(x133, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x133, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x133 + x134 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x134 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooO, (2, 3, 0, 4), (4, 2, 3, 1)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x134, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x134, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x134 + x135 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x135 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvO, (2, 1, 3, 4), (4, 0, 2, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x135, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x135, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) + del x135 + x136 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x136 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x62, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + t3new += einsum(x136, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x136, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + del x136 + x137 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x137 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvO, (4, 2, 5, 6), (6, 3, 1, 0, 4, 5)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x137, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x137 + x138 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x138 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovOV, (4, 3, 5, 6), (5, 6, 0, 1, 4, 2)) + x139 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x139 += einsum(t1[np.ix_(so,sv)], (0, 1), x138, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + t3new += einsum(x139, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x139, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x139 + x140 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x140 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvV, (2, 3, 1, 4), (3, 4, 0, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x140, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) + del x140 + x141 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x141 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvv, (2, 3, 4, 1), (3, 0, 2, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x141, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) + x142 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x142 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x141, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) + del x141 + t3new += einsum(x142, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x142, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + del x142 + x143 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x143 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oOvV, (4, 5, 3, 6), (5, 6, 0, 1, 4, 2)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x143, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x143 + x144 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x144 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oOvv, (4, 5, 6, 2), (5, 3, 1, 0, 4, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x144, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) + del x144 + x145 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x145 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovV, (2, 3, 1, 4), (4, 0, 2, 3)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x145, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) + del x145 + x146 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x146 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x36, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x36 + t3new += einsum(x146, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x146, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + del x146 + x147 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x147 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oooo, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) + x148 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x148 += einsum(t1[np.ix_(so,sv)], (0, 1), x147, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) + del x147 + t3new += einsum(x148, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x148, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x148 + x149 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x149 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oovV, (4, 5, 3, 6), (1, 6, 0, 4, 5, 2)) + x150 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x150 += einsum(t1[np.ix_(so,sv)], (0, 1), x149, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x149 + t3new += einsum(x150, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x150, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x150 + x151 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x151 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oovv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + x152 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x152 += einsum(t1[np.ix_(so,sv)], (0, 1), x151, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x151 + t3new += einsum(x152, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x152, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x152 + x153 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x153 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oovV, (4, 5, 2, 6), (1, 6, 0, 4, 5, 3)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x153, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) + del x153 + x154 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x154 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x9, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + t3new += einsum(x154, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x154, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x154 + x155 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x155 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovoV, (2, 1, 3, 4), (4, 0, 3, 2)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x155, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) + x156 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x156 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovoV, (4, 3, 5, 6), (1, 6, 0, 5, 4, 2)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x156, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x156 + x157 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x157 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 5, 6, 2), (1, 3, 0, 4, 6, 5)) + x158 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x158 += einsum(t1[np.ix_(so,sv)], (0, 1), x157, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + t3new += einsum(x158, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x158, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x158 + x159 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x159 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovoV, (4, 2, 5, 6), (1, 6, 0, 5, 4, 3)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x159, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) + del x159 + x160 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x160 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooO, (2, 3, 0, 4), (4, 1, 2, 3)) + x161 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x161 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x160, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x160 + t3new += einsum(x161, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x161, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x161 + x162 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x162 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooO, (2, 0, 3, 4), (4, 1, 3, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x162, (4, 5, 1, 6), (6, 0, 4, 3, 2, 5)) * -1.0 + del x162 + x163 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x163 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvO, (0, 2, 3, 4), (4, 1, 3, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x163, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) + del x163 + x164 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x164 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oOvv, (0, 2, 3, 4), (2, 1, 3, 4)) + x165 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x165 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x164, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x164 + t3new += einsum(x165, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x165, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x165 + x166 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x166 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooo, (2, 3, 4, 0), (1, 2, 3, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x166, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 + del x166 + x167 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x167 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oovv, (2, 0, 3, 4), (1, 2, 3, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x167, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x167, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) + del x167 + x168 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x168 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovov, (2, 3, 0, 4), (1, 2, 3, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) + x169 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x169 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) + t3new += einsum(x169, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x169, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x169 + x170 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x170 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvvV, (2, 1, 3, 4), (4, 0, 3, 2)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x170, (4, 5, 2, 6), (0, 5, 1, 3, 6, 4)) * -1.0 + x171 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x171 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x170, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) + del x170 + t3new += einsum(x171, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x171, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x171 + x172 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x172 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvvV, (2, 3, 1, 4), (4, 0, 2, 3)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x172, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x172, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 + del x172 + x173 = np.zeros((naocc, navir, nocc, nvir, nvir, nvir), dtype=np.float64) + x173 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.vvvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + x174 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x174 += einsum(t1[np.ix_(so,sv)], (0, 1), x173, (2, 3, 4, 1, 5, 6), (2, 3, 0, 4, 5, 6)) + del x173 + t3new += einsum(x174, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x174, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x174 + x175 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x175 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oovV, (2, 3, 1, 4), (0, 4, 2, 3)) + x176 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x176 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x175, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x175 + t3new += einsum(x176, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x176, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x176 + x177 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x177 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x177, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x177, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) + del x177 + x178 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x178 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovoV, (2, 1, 3, 4), (0, 4, 3, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x178, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) + del x178 + x179 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x179 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) + x180 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x180 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) + t3new += einsum(x180, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x180, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x180 + x181 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x181 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvV, (2, 1, 3, 4), (0, 4, 3, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x181, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) * -1.0 + del x181 + x182 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x182 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvV, (2, 3, 1, 4), (0, 4, 2, 3)) + x183 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x183 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x182, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x182 + t3new += einsum(x183, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x183, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x183 + x184 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x184 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x184, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -1.0 + del x184 + x185 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x185 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.oooo, (4, 5, 6, 0), (1, 2, 4, 5, 6, 3)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x185, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x185 + x186 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x186 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.oovv, (4, 5, 6, 3), (1, 2, 0, 4, 5, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x186, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) + del x186 + x187 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x187 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 6, 3), (1, 2, 0, 4, 6, 5)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x187, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) + x188 = np.zeros((naocc, navir, nocc, nvir, nvir, nvir), dtype=np.float64) + x188 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.vvvv, (4, 5, 6, 3), (1, 2, 0, 4, 5, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x188, (2, 3, 4, 1, 5, 6), (4, 0, 2, 6, 5, 3)) * -1.0 + del x188 + x189 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x189 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x189, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x189 + x190 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x190 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x190, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x190 + x191 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x191 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x191, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) + del x191 + x192 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x192 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x192, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) + del x192 + x193 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x193 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x193, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) + del x193 + x194 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x194 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x194, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 + del x194 + x195 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x195 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x195, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x195 + x196 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x196 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOO, (2, 1, 3, 4), (3, 4, 0, 2)) + t3new += einsum(x196, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 + t3new += einsum(x196, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) + del x196 + x197 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x197 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvO, (2, 3, 1, 4), (3, 4, 0, 2)) + t3new += einsum(x197, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 + del x197 + x198 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x198 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovVV, (2, 1, 3, 4), (3, 4, 0, 2)) + t3new += einsum(x198, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 + t3new += einsum(x198, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -1.0 + del x198 + x199 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x199 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvV, (2, 3, 1, 4), (3, 4, 0, 2)) + t3new += einsum(x199, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 0), (2, 4, 5, 6, 7, 1)) + del x199 + x200 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x200 += einsum(v.ovOO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 3, 1, 6, 7), (2, 7, 4, 5, 0, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x200, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) + del x200 + x201 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x201 += einsum(v.oOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 3, 2, 6, 7), (1, 7, 4, 5, 0, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x201, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x201 + x202 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x202 += einsum(v.ovOO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 0, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x202, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x202 + x203 = np.zeros((naocc, naocc), dtype=np.float64) + x203 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOO, (0, 1, 2, 3), (2, 3)) + t3new += einsum(x203, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + del x203 + x204 = np.zeros((naocc, naocc), dtype=np.float64) + x204 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvO, (0, 2, 1, 3), (2, 3)) + t3new += einsum(x204, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) + del x204 + x205 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x205 += einsum(v.ovvv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x205, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x205 + x206 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x206 += einsum(v.ovVV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 1, 7, 3), (6, 2, 4, 5, 0, 7)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x206, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -0.5 + del x206 + x207 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x207 += einsum(v.oVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 2, 7, 1), (6, 3, 4, 5, 0, 7)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x207, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 0.5 + del x207 + x208 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x208 += einsum(v.ovvv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x208, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x208 + x209 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x209 += einsum(v.ovVV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 0, 7)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x209, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x209 + x210 = np.zeros((navir, navir), dtype=np.float64) + x210 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovVV, (0, 1, 2, 3), (2, 3)) + t3new += einsum(x210, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + del x210 + x211 = np.zeros((navir, navir), dtype=np.float64) + x211 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvV, (0, 2, 1, 3), (2, 3)) + t3new += einsum(x211, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -1.0 + del x211 + x212 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x212 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooV, (2, 0, 3, 4), (1, 4, 3, 2)) + t3new += einsum(x212, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 6, 7, 1), (3, 4, 5, 6, 7, 0)) * -1.0 + del x212 + x213 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x213 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooV, (2, 3, 0, 4), (1, 4, 2, 3)) + t3new += einsum(x213, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) + t3new += einsum(x213, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) + del x213 + x214 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x214 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oVOO, (0, 2, 3, 4), (3, 4, 1, 2)) + t3new += einsum(x214, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) + del x214 + x215 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x215 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oOOV, (0, 2, 3, 4), (3, 2, 1, 4)) + x216 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x216 += einsum(x215, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 0, 6, 7, 3), (1, 2, 4, 5, 6, 7)) + del x215 + t3new += einsum(x216, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x216, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x216 + x217 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) + x217 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oVvv, (0, 2, 3, 4), (1, 2, 3, 4)) + t3new += einsum(x217, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * -0.5 + t3new += einsum(x217, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -1.0 + del x217 + x218 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) + x218 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvV, (0, 2, 3, 4), (1, 4, 3, 2)) + t3new += einsum(x218, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 0.5 + del x218 + x219 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x219 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oovO, (2, 3, 1, 4), (0, 4, 2, 3)) + t3new += einsum(x219, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 + t3new += einsum(x219, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) + del x219 + x220 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x220 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovoO, (2, 1, 3, 4), (0, 4, 3, 2)) + t3new += einsum(x220, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 + del x220 + x221 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) + x221 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvO, (2, 3, 1, 4), (0, 4, 2, 3)) + t3new += einsum(x221, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -1.0 + t3new += einsum(x221, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -1.0 + del x221 + x222 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) + x222 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvO, (2, 1, 3, 4), (0, 4, 3, 2)) + t3new += einsum(x222, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 2, 6, 7), (4, 5, 0, 3, 6, 7)) + del x222 + x223 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x223 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vOVV, (1, 2, 3, 4), (0, 2, 3, 4)) + t3new += einsum(x223, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -1.0 + del x223 + x224 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x224 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vVOV, (1, 2, 3, 4), (0, 3, 4, 2)) + x225 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x225 += einsum(x224, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 2), (0, 3, 4, 5, 6, 7)) + del x224 + t3new += einsum(x225, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x225, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x225 + x226 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x226 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooV, (2, 0, 3, 4), (4, 3, 2, 1)) + t3new += einsum(x226, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 1, 5, 6, 7, 0), (4, 2, 5, 6, 3, 7)) + del x226 + x227 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x227 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvv, (2, 3, 4, 1), (3, 0, 2, 4)) + t3new += einsum(x227, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) * -1.0 + del x227 + x228 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) + x228 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOOV, (0, 2, 3, 4), (3, 2, 4, 1)) + t3new += einsum(x228, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) + del x228 + x229 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) + x229 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvOV, (2, 1, 3, 4), (0, 3, 4, 2)) + t3new += einsum(x229, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -1.0 + del x229 + x230 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) + x230 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vVOV, (1, 2, 3, 4), (3, 4, 2, 0)) + t3new += einsum(x230, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -1.0 + del x230 + x231 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) + x231 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ooOV, (2, 0, 3, 4), (3, 1, 4, 2)) + t3new += einsum(x231, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) + del x231 + x232 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x232 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooOV, (2, 0, 3, 4), (3, 4, 2, 1)) + t3new += einsum(x232, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 + del x232 + x233 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x233 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvOV, (2, 1, 3, 4), (3, 4, 0, 2)) + t3new += einsum(x233, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) + del x233 + x234 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x234 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoO, (1, 3, 4, 5), (5, 0, 4, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x234, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * 2.0 + x235 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x235 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x234, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) + del x234 + t3new += einsum(x235, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new += einsum(x235, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x235 + x236 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x236 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (4, 2, 1, 5), (5, 3, 0, 4)) + x237 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x237 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x236, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x236 + t3new += einsum(x237, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x237, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x237 + x238 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x238 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoO, (1, 2, 4, 5), (5, 0, 4, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x238, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 + x239 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x239 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x238, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) + del x238 + t3new += einsum(x239, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x239, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x239 + x240 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x240 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoO, (4, 3, 1, 5), (5, 0, 4, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x240, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 + x241 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x241 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x240, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) + del x240 + t3new += einsum(x241, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x241, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x241 + x242 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x242 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoO, (4, 2, 1, 5), (5, 0, 4, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x242, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x242, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x242 + x243 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x243 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (0, 4, 1, 5), (5, 3, 2, 4)) + x244 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x244 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x243, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x243 + t3new += einsum(x244, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 0.5 + t3new += einsum(x244, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x244, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 0.5 + del x244 + x245 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x245 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (1, 4, 0, 5), (5, 3, 2, 4)) + x246 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x246 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x245, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x245 + t3new += einsum(x246, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 + t3new += einsum(x246, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 + del x246 + x247 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x247 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (1, 2, 4, 5), (5, 3, 0, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x247, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + del x247 + x248 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x248 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (4, 2, 0, 5), (5, 3, 1, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x248, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + del x248 + x249 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x249 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (0, 2, 4, 5), (5, 3, 1, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x249, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 + del x249 + x250 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x250 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoO, (1, 4, 0, 5), (5, 2, 3, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x250, (4, 5, 6, 2), (1, 0, 4, 5, 6, 3)) * -1.0 + del x250 + x251 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x251 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x49, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x49 + t3new += einsum(x251, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x251, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x251 + x252 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x252 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 2), (1, 3, 4, 5)) + x253 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x253 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x252, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x252 + t3new += einsum(x253, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new += einsum(x253, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x253 + x254 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x254 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x43, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x43 + t3new += einsum(x254, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x254, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x254 + x255 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x255 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x45, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x45 + t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + del x255 + x256 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x256 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 2), (1, 3, 4, 5)) + x257 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x257 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x256, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x256 + t3new += einsum(x257, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x257, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x257 + x258 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x258 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x47, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x47 + t3new += einsum(x258, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x258, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x258 + x259 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x259 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + x260 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x260 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x259, (4, 5, 6, 7, 0, 1), (4, 5, 6, 7, 2, 3)) + t3new += einsum(x260, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x260, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x260 + x261 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x261 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 3), (1, 4, 5, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x261, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 + x262 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x262 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x261, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) + del x261 + t3new += einsum(x262, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x262, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x262 + x263 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x263 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 1, 2), (3, 0, 4, 5)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x263, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * -1.0 + del x263 + x264 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x264 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 2), (1, 4, 5, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x264, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x264, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x264 + x265 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x265 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 3), (1, 4, 5, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x265, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x265, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x265 + x266 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x266 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 2), (1, 4, 5, 3)) + x267 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x267 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x266, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) + t3new += einsum(x267, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x267, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x267 + x268 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x268 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 1, 5, 2), (3, 0, 4, 5)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x268, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 + del x268 + x269 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x269 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 0, 1, 5), (3, 4, 2, 5)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x269, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -1.0 + x270 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x270 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x269, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) + del x269 + t3new += einsum(x270, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x270, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x270, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 + del x270 + x271 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x271 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 1, 0, 5), (3, 4, 2, 5)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x271, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 + x272 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x272 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x271, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) + del x271 + t3new += einsum(x272, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 + t3new += einsum(x272, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 + del x272 + x273 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x273 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x266, (4, 5, 0, 6), (4, 3, 1, 5, 6, 2)) + del x266 + t3new += einsum(x273, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x273, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x273 + x274 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x274 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 2), (3, 1, 4, 5)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x274, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * -1.0 + del x274 + x275 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x275 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 2), (3, 1, 4, 5)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x275, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * 2.0 + del x275 + x276 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x276 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvV, (1, 3, 4, 5), (5, 0, 2, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x276, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -2.0 + x277 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x277 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x276, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) + del x276 + t3new += einsum(x277, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new += einsum(x277, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + del x277 + x278 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x278 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvV, (1, 2, 4, 5), (5, 0, 3, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x278, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) + x279 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x279 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x278, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) + del x278 + t3new += einsum(x279, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x279, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x279 + x280 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x280 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvV, (1, 4, 3, 5), (5, 0, 2, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x280, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) + x281 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x281 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x280, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) + del x280 + t3new += einsum(x281, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x281, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x281 + x282 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x282 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (4, 2, 3, 5), (1, 5, 0, 4)) + x283 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x283 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x282, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x282 + t3new += einsum(x283, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x283, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x283 + x284 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x284 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvV, (1, 4, 2, 5), (5, 0, 3, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x284, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x284, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) + del x284 + x285 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x285 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (0, 4, 3, 5), (1, 5, 2, 4)) + x286 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x286 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x285, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x285 + t3new += einsum(x286, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x286, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + del x286 + x287 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x287 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (0, 4, 2, 5), (1, 5, 3, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x287, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) + del x287 + x288 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x288 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (0, 3, 4, 5), (1, 5, 2, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x288, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) + del x288 + x289 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x289 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvV, (4, 3, 2, 5), (5, 0, 1, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x289, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) + del x289 + x290 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x290 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (0, 2, 4, 5), (1, 5, 3, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x290, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -2.0 + del x290 + x291 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x291 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (4, 3, 2, 5), (1, 5, 0, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x291, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) + del x291 + x292 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x292 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x113, (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) + t3new += einsum(x292, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new += einsum(x292, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x292 + x293 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x293 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x113, (4, 5, 6, 1, 2, 7), (4, 5, 6, 0, 3, 7)) + t3new += einsum(x293, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x293, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x293 + x294 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x294 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) + x295 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x295 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x294, (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) + t3new += einsum(x295, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x295, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x295 + x296 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x296 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x294, (4, 5, 6, 1, 2, 7), (4, 5, 6, 0, 3, 7)) + t3new += einsum(x296, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x296, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x296 + x297 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x297 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) + x298 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x298 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x297, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) + del x297 + t3new += einsum(x298, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x298, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x298 + x299 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x299 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x58, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x58 + t3new += einsum(x299, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x299, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x299 + x300 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x300 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) + x301 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x301 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x300, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x300 + t3new += einsum(x301, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new += einsum(x301, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x301 + x302 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x302 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (4, 3, 5, 2), (1, 0, 4, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x302, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) + x303 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x303 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x302, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) + del x302 + t3new += einsum(x303, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x303, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x303 + x304 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x304 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvv, (1, 2, 4, 5), (3, 0, 4, 5)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x304, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x304, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) + del x304 + x305 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x305 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvv, (1, 4, 5, 2), (3, 0, 4, 5)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x305, (4, 5, 2, 6), (0, 5, 1, 3, 6, 4)) + x306 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x306 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x305, (4, 5, 3, 6), (1, 4, 0, 5, 2, 6)) + del x305 + t3new += einsum(x306, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x306, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x306 + x307 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x307 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (4, 2, 5, 3), (1, 0, 4, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x307, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x307, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) + del x307 + x308 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x308 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x308, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) + del x308 + x309 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x309 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x309, (4, 5, 2, 6), (1, 0, 4, 5, 6, 3)) + del x309 + x310 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x310 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (0, 3, 4, 5), (1, 2, 4, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x310, (4, 5, 6, 2), (1, 0, 4, 5, 6, 3)) + del x310 + x311 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x311 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) + x312 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x312 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x311, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) + del x311 + t3new += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x312 + x313 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x313 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvv, (0, 2, 4, 5), (3, 1, 4, 5)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x313, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -2.0 + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x313, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -2.0 + del x313 + x314 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x314 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 2), (3, 1, 4, 5)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x314, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x314, (4, 5, 2, 6), (5, 0, 1, 3, 6, 4)) + del x314 + x315 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x315 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 3), (1, 2, 4, 5)) + x316 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x316 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x315, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x315 + t3new += einsum(x316, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x316, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x316 + x317 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x317 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 3), (1, 2, 4, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x317, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + del x317 + x318 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x318 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 6, 3), (1, 2, 0, 4, 5, 6)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x318, (4, 5, 6, 7, 0, 1), (6, 7, 4, 3, 2, 5)) * -1.0 + x319 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x319 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x319, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) + del x319 + x320 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x320 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovvv, (0, 3, 4, 5), (1, 2, 4, 5)) + x321 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x321 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x320, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x320 + t3new += einsum(x321, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x321, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x321 + x322 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x322 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovvv, (4, 3, 5, 6), (1, 2, 0, 4, 5, 6)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x322, (4, 5, 6, 1, 3, 7), (6, 0, 4, 7, 2, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x322, (4, 5, 6, 1, 2, 7), (6, 0, 4, 3, 7, 5)) + x323 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x323 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 0, 4, 5, 1, 6), (4, 6, 5, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x323, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -1.0 + del x323 + x324 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x324 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 0, 4, 3, 5, 6), (4, 6, 5, 1)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x324, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) * -1.0 + del x324 + x325 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x325 += einsum(x12, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 2, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + del x12 + t3new += einsum(x325, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x325, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x325 + x326 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x326 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 3, 1, 6), (5, 6, 4, 0)) + x327 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x327 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x326, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x326 + t3new += einsum(x327, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x327, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x327 + x328 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x328 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x328, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x328, (4, 5, 6, 1, 7, 2), (0, 6, 4, 3, 7, 5)) + del x328 + x329 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x329 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x329, (4, 5, 6, 1, 7, 2), (0, 6, 4, 7, 3, 5)) + del x329 + x330 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x330 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 1, 3, 6), (5, 6, 4, 0)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x330, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + del x330 + x331 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x331 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 1, 3, 6), (5, 6, 4, 0)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x331, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) + del x331 + x332 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x332 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x332, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -2.0 + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x332, (4, 5, 6, 1, 7, 2), (6, 0, 4, 7, 3, 5)) + del x332 + x333 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x333 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x333, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x333, (4, 5, 6, 1, 7, 2), (6, 0, 4, 3, 7, 5)) + del x333 + x334 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x334 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x334, (4, 5, 6, 7, 0, 1), (6, 7, 4, 2, 3, 5)) + x335 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x335 += einsum(x85, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) + t3new += einsum(x335, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 + t3new += einsum(x335, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 + del x335 + x336 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x336 += einsum(x85, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + del x85 + t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + del x336 + x337 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x337 += einsum(x83, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) + t3new += einsum(x337, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 + t3new += einsum(x337, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.5 + del x337 + x338 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x338 += einsum(x83, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + del x83 + t3new += einsum(x338, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.5 + t3new += einsum(x338, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 + del x338 + x339 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x339 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 1, 6, 3), (5, 4, 0, 6)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x339, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 0.5 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x339, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -0.5 + del x339 + x340 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x340 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 4, 5, 1, 6, 3), (5, 4, 2, 6)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x340, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -0.5 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x340, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * 0.5 + del x340 + x341 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x341 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 2, 4, 5), (3, 5, 0, 4)) + t3new += einsum(x341, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 + del x341 + x342 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x342 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (4, 2, 1, 5), (3, 5, 0, 4)) + t3new += einsum(x342, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) + t3new += einsum(x342, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) + del x342 + x343 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x343 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 0, 4, 5, 6, 3), (4, 5, 6, 1)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x343, (4, 5, 6, 2), (1, 0, 4, 5, 6, 3)) * -1.0 + del x343 + x344 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x344 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 6, 1, 3), (5, 4, 0, 6)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x344, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) + del x344 + x345 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x345 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 5, 6, 1, 3), (5, 4, 2, 6)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x345, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 + del x345 + x346 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x346 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 1, 6, 3), (5, 4, 0, 6)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x346, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -0.5 + del x346 + x347 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x347 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 5, 1, 6, 3), (5, 4, 2, 6)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x347, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 0.5 + del x347 + x348 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x348 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 2, 4, 5), (3, 5, 1, 4)) + t3new += einsum(x348, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 + del x348 + x349 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x349 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 6, 1, 3), (5, 4, 0, 6)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x349, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x349 + x350 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x350 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (4, 2, 0, 5), (3, 5, 1, 4)) + t3new += einsum(x350, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 + del x350 + x351 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) + x351 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 4, 1, 5), (3, 5, 2, 4)) + t3new += einsum(x351, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 0.25 + del x351 + x352 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) + x352 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 4, 0, 5), (3, 5, 2, 4)) + t3new += einsum(x352, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * -0.25 + del x352 + x353 = np.zeros((navir, navir), dtype=np.float64) + x353 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 2, 1, 4), (3, 4)) + t3new += einsum(x353, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -0.5 + del x353 + x354 = np.zeros((navir, navir), dtype=np.float64) + x354 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 2, 0, 4), (3, 4)) + t3new += einsum(x354, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 0.5 + del x354 + x355 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) + x355 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 4, 0, 5), (3, 5, 2, 4)) + t3new += einsum(x355, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * -0.25 + del x355 + x356 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) + x356 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 4, 1, 5), (3, 5, 2, 4)) + t3new += einsum(x356, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 0.25 + t3new += einsum(x356, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) + del x356 + x357 = np.zeros((navir, navir), dtype=np.float64) + x357 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 2, 0, 4), (3, 4)) + t3new += einsum(x357, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 0.5 + del x357 + x358 = np.zeros((navir, navir), dtype=np.float64) + x358 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 2, 1, 4), (3, 4)) + t3new += einsum(x358, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -1.5 + del x358 + x359 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x359 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 4, 3, 2, 5, 6), (6, 4, 5, 1)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x359, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 0.5 + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x359, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -0.5 + del x359 + x360 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x360 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (4, 2, 3, 5), (1, 5, 0, 4)) + t3new += einsum(x360, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 + del x360 + x361 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x361 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 4, 3, 1, 5, 6), (6, 4, 5, 2)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x361, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -0.5 + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x361, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * 0.5 + del x361 + x362 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x362 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (4, 3, 2, 5), (1, 5, 0, 4)) + t3new += einsum(x362, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 + del x362 + x363 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x363 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 3, 5, 2, 6), (6, 4, 5, 1)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x363, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 0.5 + del x363 + x364 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x364 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 3, 2, 5, 6), (6, 4, 5, 1)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x364, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -0.5 + del x364 + x365 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x365 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x365, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 + del x365 + x366 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x366 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (4, 2, 3, 5), (1, 5, 0, 4)) + t3new += einsum(x366, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) + del x366 + x367 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x367 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x367, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -0.5 + del x367 + x368 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x368 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 3, 1, 5, 6), (6, 4, 5, 2)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x368, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 0.5 + del x368 + x369 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x369 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 3, 2, 5, 6), (6, 4, 5, 1)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x369, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 + del x369 + x370 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) + x370 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 3, 4, 5), (1, 5, 2, 4)) + t3new += einsum(x370, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -1.0 + del x370 + x371 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) + x371 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 2, 4, 5), (1, 5, 3, 4)) + t3new += einsum(x371, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 2.0 + del x371 + x372 = np.zeros((naocc, naocc), dtype=np.float64) + x372 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 2, 3, 4), (1, 4)) + x373 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x373 += einsum(x372, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) + del x372 + t3new += einsum(x373, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x373, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x373 + x374 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) + x374 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 4, 3, 5), (1, 5, 2, 4)) + t3new += einsum(x374, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) + t3new += einsum(x374, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) + del x374 + x375 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x375 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 3, 2, 1, 6), (6, 4, 5, 0)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x375, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * -1.0 + del x375 + x376 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) + x376 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 4, 2, 5), (1, 5, 3, 4)) + t3new += einsum(x376, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -1.0 + del x376 + x377 = np.zeros((naocc, naocc), dtype=np.float64) + x377 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 3, 2, 4), (1, 4)) + t3new += einsum(x377, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) + del x377 + x378 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) + x378 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) + t3new += einsum(t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x378, (6, 2, 7, 5, 8, 1), (8, 0, 6, 4, 3, 7)) * -1.0 + x379 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x379 += einsum(t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x378, (6, 2, 7, 5, 8, 0), (6, 7, 8, 1, 3, 4)) + del x378 + t3new += einsum(x379, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 + t3new += einsum(x379, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 + del x379 + x380 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) + x380 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oVvO, (4, 5, 2, 6), (1, 6, 3, 5, 0, 4)) + x381 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x381 += einsum(t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x380, (6, 2, 7, 5, 8, 0), (6, 7, 8, 1, 3, 4)) + del x380 + t3new += einsum(x381, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 + t3new += einsum(x381, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 + del x381 + x382 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) + x382 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) + t3new += einsum(t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x382, (6, 2, 7, 5, 8, 1), (0, 8, 6, 3, 4, 7)) * -1.0 + del x382 + x383 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x383 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x67, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x67 + t3new += einsum(x383, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 + t3new += einsum(x383, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 + del x383 + x384 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x384 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x69, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x69 + t3new += einsum(x384, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 + t3new += einsum(x384, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 + del x384 + x385 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x385 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x71, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x71 + t3new += einsum(x385, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x385, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x385 + x386 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x386 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) + x387 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x387 += einsum(x386, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) + del x386 + t3new += einsum(x387, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new += einsum(x387, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x387 + x388 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x388 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oVvO, (0, 4, 2, 5), (1, 5, 3, 4)) + x389 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x389 += einsum(x388, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) + del x388 + t3new += einsum(x389, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x389, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x389 + x390 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x390 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoV, (1, 3, 4, 5), (5, 0, 4, 2)) + t3new += einsum(x390, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) * -2.0 + del x390 + x391 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x391 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (2, 4, 5, 1, 6, 3), (5, 6, 4, 0)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x391, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -0.5 + del x391 + x392 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x392 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (0, 4, 5, 1, 6, 3), (5, 6, 4, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x392, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 0.5 + del x392 + x393 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x393 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoV, (1, 2, 4, 5), (5, 0, 4, 3)) + t3new += einsum(x393, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) + del x393 + x394 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x394 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoV, (4, 3, 1, 5), (5, 0, 4, 2)) + t3new += einsum(x394, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) + del x394 + x395 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=np.float64) + x395 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovOV, (4, 3, 5, 6), (1, 5, 6, 0, 4, 2)) + x396 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x396 += einsum(t3[np.ix_(so,so,sO,sv,sV,sV)], (0, 1, 2, 3, 4, 5), x395, (6, 2, 5, 7, 1, 8), (6, 4, 7, 0, 8, 3)) + del x395 + t3new += einsum(x396, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x396, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 + del x396 + x397 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=np.float64) + x397 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovOV, (4, 2, 5, 6), (1, 5, 6, 0, 4, 3)) + t3new += einsum(t3[np.ix_(so,so,sO,sv,sV,sV)], (0, 1, 2, 3, 4, 5), x397, (6, 2, 5, 7, 1, 8), (7, 0, 6, 8, 3, 4)) + t3new += einsum(t3[np.ix_(so,so,sO,sv,sV,sV)], (0, 1, 2, 3, 4, 5), x397, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * 0.5 + del x397 + x398 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=np.float64) + x398 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 3, 6), (1, 6, 5, 0, 4, 2)) + t3new += einsum(t3[np.ix_(so,so,sO,sv,sV,sV)], (0, 1, 2, 3, 4, 5), x398, (6, 2, 5, 7, 1, 8), (0, 7, 6, 3, 8, 4)) * 0.5 + del x398 + x399 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=np.float64) + x399 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 2, 6), (1, 6, 5, 0, 4, 3)) + t3new += einsum(t3[np.ix_(so,so,sO,sv,sV,sV)], (0, 1, 2, 3, 4, 5), x399, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * -0.5 + del x399 + x400 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) + x400 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovOV, (0, 3, 4, 5), (1, 4, 5, 2)) + t3new += einsum(x400, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) + del x400 + x401 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x401 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 2, 1, 6, 3), (6, 4, 5, 0)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x401, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * 0.5 + del x401 + x402 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x402 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 3, 2, 6, 1), (6, 4, 5, 0)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x402, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -0.5 + del x402 + x403 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) + x403 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovOV, (0, 2, 4, 5), (1, 4, 5, 3)) + t3new += einsum(x403, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -2.0 + del x403 + x404 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) + x404 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvO, (0, 4, 2, 5), (1, 5, 4, 3)) + t3new += einsum(x404, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) + del x404 + x405 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x405 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (0, 4, 3, 5, 2, 6), (4, 6, 5, 1)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x405, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 0.5 + del x405 + x406 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x406 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (0, 4, 3, 2, 5, 6), (4, 6, 5, 1)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x406, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -0.5 + del x406 + x407 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x407 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (0, 4, 3, 5, 1, 6), (4, 6, 5, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x407, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -0.5 + del x407 + x408 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x408 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (0, 4, 3, 1, 5, 6), (4, 6, 5, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x408, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 0.5 + del x408 + x409 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x409 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 2, 6, 1, 3), (5, 4, 0, 6)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x409, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x409, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) + del x409 + x410 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) + x410 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovOV, (1, 2, 4, 5), (4, 3, 5, 0)) + t3new += einsum(x410, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) + del x410 + x411 = np.zeros((naocc, navir, navir, nocc, nocc, nocc), dtype=np.float64) + x411 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovOV, (4, 2, 5, 6), (5, 3, 6, 1, 0, 4)) + t3new += einsum(t3[np.ix_(so,sO,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x411, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) * 0.5 + del x411 + x412 = np.zeros((naocc, navir, navir, nocc, nocc, nocc), dtype=np.float64) + x412 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oVvO, (4, 5, 2, 6), (6, 3, 5, 1, 0, 4)) + t3new += einsum(t3[np.ix_(so,sO,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x412, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) * -0.5 + del x412 + x413 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x413 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x413, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * 0.5 + del x413 + x414 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x414 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 3, 2, 6, 1), (5, 4, 0, 6)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x414, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -0.5 + del x414 + x415 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) + x415 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovOV, (0, 2, 4, 5), (4, 3, 5, 1)) + t3new += einsum(x415, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -2.0 + del x415 + x416 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) + x416 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oVvO, (0, 4, 2, 5), (5, 3, 4, 1)) + t3new += einsum(x416, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) + del x416 + x417 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x417 += einsum(t3[np.ix_(so,sO,sO,sv,sV,sV)], (0, 1, 2, 3, 4, 5), x138, (2, 5, 6, 7, 0, 8), (1, 4, 6, 7, 8, 3)) + del x138 + t3new += einsum(x417, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 + t3new += einsum(x417, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 + del x417 + x418 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x418 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 3, 6), (6, 5, 0, 1, 4, 2)) + x419 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x419 += einsum(t3[np.ix_(so,sO,sO,sv,sV,sV)], (0, 1, 2, 3, 4, 5), x418, (2, 5, 6, 7, 0, 8), (1, 4, 6, 7, 8, 3)) + del x418 + t3new += einsum(x419, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 + t3new += einsum(x419, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 + del x419 + x420 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x420 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 2, 1, 6, 3), (5, 6, 4, 0)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x420, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -0.5 + del x420 + x421 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x421 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 3, 2, 6, 1), (5, 6, 4, 0)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x421, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * 0.5 + del x421 + x422 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x422 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovOV, (1, 3, 4, 5), (4, 5, 0, 2)) + t3new += einsum(x422, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 + del x422 + x423 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x423 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovOV, (1, 2, 4, 5), (4, 5, 0, 3)) + t3new += einsum(x423, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 + del x423 + x424 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x424 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oVvO, (1, 4, 3, 5), (5, 4, 0, 2)) + t3new += einsum(x424, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 + del x424 + x425 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) + x425 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovOV, (4, 3, 5, 6), (1, 5, 2, 6, 0, 4)) + t3new += einsum(t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x425, (6, 2, 7, 5, 8, 1), (8, 0, 6, 4, 3, 7)) + t3new += einsum(t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x425, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * 0.5 + del x425 + x426 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) + x426 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 3, 6), (1, 6, 2, 5, 0, 4)) + t3new += einsum(t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x426, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * -0.5 + del x426 + x427 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x427 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovOV, (0, 3, 4, 5), (1, 4, 2, 5)) + x428 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x428 += einsum(x427, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) + del x427 + t3new += einsum(x428, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x428, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x428 + x429 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x429 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.oVvO, (0, 4, 3, 5), (1, 5, 2, 4)) + t3new += einsum(x429, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) + del x429 + x430 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) + x430 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovoO, (2, 1, 3, 4), (4, 0, 3, 2)) + x431 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x431 += einsum(t1[np.ix_(so,sv)], (0, 1), x430, (2, 3, 4, 0), (2, 3, 4, 1)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x431, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 + x432 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x432 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x431, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) + del x431 + t3new += einsum(x432, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x432, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x432 + x433 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x433 += einsum(t1[np.ix_(so,sv)], (0, 1), x430, (2, 3, 0, 4), (2, 3, 4, 1)) + del x430 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x433, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x433, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x433 + x434 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x434 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (4, 2, 5, 6), (6, 3, 1, 0, 5, 4)) + x435 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x435 += einsum(t1[np.ix_(so,sv)], (0, 1), x434, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x434 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x435, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x435 + x436 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x436 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x41, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) + x437 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x437 += einsum(t1[np.ix_(so,sv)], (0, 1), x436, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x436 + t3new += einsum(x437, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x437, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x437 + x438 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x438 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x41, (4, 5, 6, 0), (1, 3, 4, 6, 5, 2)) + x439 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x439 += einsum(t1[np.ix_(so,sv)], (0, 1), x438, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x438 + t3new += einsum(x439, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x439, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x439 + x440 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x440 += einsum(t1[np.ix_(so,sv)], (0, 1), x259, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x259 + x441 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x441 += einsum(t1[np.ix_(so,sv)], (0, 1), x440, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x440 + t3new += einsum(x441, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x441, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x441 + x442 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x442 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvV, (2, 1, 3, 4), (4, 0, 2, 3)) + x443 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x443 += einsum(t1[np.ix_(so,sv)], (0, 1), x442, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x443, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) + del x443 + x444 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x444 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x90, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x90 + t3new += einsum(x444, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x444, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x444 + x445 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x445 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x442, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) + x446 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x446 += einsum(t1[np.ix_(so,sv)], (0, 1), x445, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x445 + t3new += einsum(x446, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x446, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x446 + x447 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x447 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvV, (2, 3, 1, 4), (4, 0, 2, 3)) + x448 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x448 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x447, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x448, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) + del x448 + x449 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x449 += einsum(t1[np.ix_(so,sv)], (0, 1), x113, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) + del x113 + x450 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x450 += einsum(t1[np.ix_(so,sv)], (0, 1), x449, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x449 + t3new += einsum(x450, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x450, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x450 + x451 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x451 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x447, (4, 5, 6, 2), (1, 4, 5, 0, 6, 3)) + del x447 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x451, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x451 + x452 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x452 += einsum(t1[np.ix_(so,sv)], (0, 1), x294, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) + del x294 + x453 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x453 += einsum(t1[np.ix_(so,sv)], (0, 1), x452, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x452 + t3new += einsum(x453, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x453, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + del x453 + x454 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x454 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x442, (4, 5, 6, 2), (1, 4, 5, 0, 6, 3)) + del x442 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x454, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) + del x454 + x455 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x455 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoO, (0, 2, 3, 4), (4, 1, 3, 2)) + x456 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x456 += einsum(t1[np.ix_(so,sv)], (0, 1), x455, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x456, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + del x456 + x457 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x457 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoO, (2, 3, 0, 4), (4, 1, 2, 3)) + x458 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x458 += einsum(t1[np.ix_(so,sv)], (0, 1), x457, (2, 3, 4, 1), (2, 3, 0, 4)) + x459 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x459 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x458, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x458 + t3new += einsum(x459, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x459, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x459 + x460 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x460 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x457, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x457 + x461 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x461 += einsum(t1[np.ix_(so,sv)], (0, 1), x460, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x460 + t3new += einsum(x461, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x461, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x461 + x462 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x462 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x455, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x455 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x462, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x462 + x463 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x463 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ooov, (2, 3, 0, 4), (1, 2, 3, 4)) + x464 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x464 += einsum(t1[np.ix_(so,sv)], (0, 1), x463, (2, 3, 4, 1), (2, 0, 4, 3)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x464, (4, 5, 0, 6), (5, 6, 1, 3, 2, 4)) * -1.0 + del x464 + x465 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x465 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ooov, (2, 0, 3, 4), (1, 2, 3, 4)) + x466 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x466 += einsum(t1[np.ix_(so,sv)], (0, 1), x465, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x466, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 + del x466 + x467 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x467 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x463, (4, 5, 6, 3), (1, 4, 0, 6, 5, 2)) + x468 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x468 += einsum(t1[np.ix_(so,sv)], (0, 1), x467, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x467 + t3new += einsum(x468, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x468, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x468 + x469 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x469 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x465, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x469, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x469 + x470 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x470 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x463, (4, 5, 6, 2), (1, 4, 0, 6, 5, 3)) + del x463 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x470, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x470 + x471 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x471 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x465, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) + del x465 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x471, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x471 + x472 = np.zeros((navir, nvir, nvir, nvir), dtype=np.float64) + x472 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvv, (0, 2, 3, 4), (1, 2, 3, 4)) + x473 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x473 += einsum(t1[np.ix_(so,sv)], (0, 1), x472, (2, 1, 3, 4), (2, 0, 4, 3)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x473, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x473, (4, 5, 2, 6), (5, 0, 1, 3, 6, 4)) + del x473 + x474 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x474 += einsum(t1[np.ix_(so,sv)], (0, 1), x472, (2, 3, 4, 1), (2, 0, 3, 4)) + del x472 + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x474, (4, 5, 2, 6), (0, 5, 1, 3, 6, 4)) + x475 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x475 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x474, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) + del x474 + t3new += einsum(x475, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x475, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + del x475 + x476 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) + x476 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) + x477 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x477 += einsum(t1[np.ix_(so,sv)], (0, 1), x476, (2, 3, 0, 4), (2, 3, 4, 1)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x477, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 + x478 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x478 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x477, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) + del x477 + t3new += einsum(x478, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x478, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x478 + x479 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x479 += einsum(t1[np.ix_(so,sv)], (0, 1), x476, (2, 3, 4, 0), (2, 4, 3, 1)) + del x476 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x479, (4, 1, 5, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x479, (4, 0, 5, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x479 + x480 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x480 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvV, (2, 3, 1, 4), (0, 4, 2, 3)) + x481 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x481 += einsum(t1[np.ix_(so,sv)], (0, 1), x480, (2, 3, 4, 1), (2, 3, 0, 4)) + x482 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x482 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x481, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x481 + t3new += einsum(x482, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x482, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + del x482 + x483 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x483 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvV, (2, 1, 3, 4), (0, 4, 2, 3)) + x484 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x484 += einsum(t1[np.ix_(so,sv)], (0, 1), x483, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x484, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) + del x484 + x485 = np.zeros((naocc, nocc, nvir, nvir), dtype=np.float64) + x485 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) + x486 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x486 += einsum(t1[np.ix_(so,sv)], (0, 1), x485, (2, 3, 1, 4), (2, 0, 3, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x486, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x486, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) + del x486 + x487 = np.zeros((naocc, nocc, nvir, nvir), dtype=np.float64) + x487 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) + x488 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x488 += einsum(t1[np.ix_(so,sv)], (0, 1), x487, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x488, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) + x489 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x489 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x488, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) + del x488 + t3new += einsum(x489, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + t3new += einsum(x489, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + del x489 + x490 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x490 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x483, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x483 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x490, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x490 + x491 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x491 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x480, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x480 + x492 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x492 += einsum(t1[np.ix_(so,sv)], (0, 1), x491, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x491 + t3new += einsum(x492, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x492, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 + del x492 + x493 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x493 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x487, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) + del x487 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x493, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) + del x493 + x494 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x494 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x485, (4, 5, 2, 6), (4, 3, 1, 0, 5, 6)) + del x485 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x494, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x494 + x495 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x495 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ooov, (4, 5, 0, 3), (2, 1, 4, 5)) + x496 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x496 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x495, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) + del x495 + t3new += einsum(x496, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x496, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x496 + x497 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x497 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ooov, (4, 0, 5, 3), (2, 1, 4, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x497, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + del x497 + x498 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x498 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ovvv, (0, 3, 4, 5), (2, 1, 4, 5)) + x499 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x499 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x498, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) + del x498 + t3new += einsum(x499, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x499, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x499 + x500 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x500 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ovvv, (0, 4, 5, 3), (2, 1, 4, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x500, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) + del x500 + x501 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x501 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x41, (4, 5, 6, 0), (1, 2, 4, 6, 5, 3)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x501, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x501 + x502 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x502 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x41, (4, 5, 0, 6), (1, 2, 4, 5, 6, 3)) + del x41 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x502, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x502 + x503 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x503 += einsum(t1[np.ix_(so,sv)], (0, 1), x318, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x318 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x503, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x503 + x504 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x504 += einsum(t1[np.ix_(so,sv)], (0, 1), x322, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) + del x322 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x504, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x504 + x505 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x505 += einsum(t1[np.ix_(so,sv)], (0, 1), x115, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) + del x115 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x505, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) + del x505 + x506 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x506 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x506, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x506 + x507 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x507 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 4, 1, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x507, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) + del x507 + x508 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x508 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x508, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x508 + x509 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x509 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 3, 6, 7), (5, 7, 0, 4, 1, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x509, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x509 + x510 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x510 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x510, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) + del x510 + x511 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x511 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x511, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -2.0 + del x511 + x512 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x512 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x512, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) + del x512 + x513 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x513 += einsum(t1[np.ix_(so,sv)], (0, 1), x334, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x334 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x513, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) + del x513 + x514 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x514 += einsum(x0, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x514, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -2.0 + del x514 + x515 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x515 += einsum(x15, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x515, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) + del x515 + x516 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x516 += einsum(x0, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x516, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 + del x516 + x517 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x517 += einsum(x15, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x517, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x517 + x518 = np.zeros((navir, navir, nocc, nvir), dtype=np.float64) + x518 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoV, (0, 2, 3, 4), (1, 4, 3, 2)) + x519 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x519 += einsum(t1[np.ix_(so,sv)], (0, 1), x518, (2, 3, 4, 1), (2, 3, 0, 4)) + del x518 + t3new += einsum(x519, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 + del x519 + x520 = np.zeros((navir, navir, nocc, nvir), dtype=np.float64) + x520 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) + x521 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x521 += einsum(t1[np.ix_(so,sv)], (0, 1), x520, (2, 3, 4, 1), (2, 3, 0, 4)) + del x520 + t3new += einsum(x521, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) + t3new += einsum(x521, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) + del x521 + x522 = np.zeros((navir, navir, nocc, nvir), dtype=np.float64) + x522 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoV, (0, 2, 3, 4), (1, 4, 3, 2)) + x523 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x523 += einsum(x522, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 7, 1), (6, 0, 4, 5, 2, 7)) + del x522 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x523, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -0.5 + del x523 + x524 = np.zeros((navir, navir, nocc, nvir), dtype=np.float64) + x524 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) + x525 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x525 += einsum(x524, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 7, 1), (6, 0, 4, 5, 2, 7)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x525, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 0.5 + del x525 + x526 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x526 += einsum(x524, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + del x524 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x526, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x526 + x527 = np.zeros((navir, nocc), dtype=np.float64) + x527 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovoV, (0, 1, 2, 3), (3, 2)) + x528 = np.zeros((navir, navir), dtype=np.float64) + x528 += einsum(t1[np.ix_(so,sV)], (0, 1), x527, (2, 0), (1, 2)) + del x527 + t3new += einsum(x528, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + del x528 + x529 = np.zeros((navir, nocc), dtype=np.float64) + x529 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovoV, (2, 1, 0, 3), (3, 2)) + x530 = np.zeros((navir, navir), dtype=np.float64) + x530 += einsum(t1[np.ix_(so,sV)], (0, 1), x529, (2, 0), (1, 2)) + del x529 + t3new += einsum(x530, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) + del x530 + x531 = np.zeros((naocc, naocc, nocc, nvir), dtype=np.float64) + x531 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) + x532 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x532 += einsum(t1[np.ix_(so,sv)], (0, 1), x531, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new += einsum(x532, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 + del x532 + x533 = np.zeros((naocc, naocc, nocc, nvir), dtype=np.float64) + x533 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvO, (2, 1, 3, 4), (0, 4, 2, 3)) + x534 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x534 += einsum(t1[np.ix_(so,sv)], (0, 1), x533, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new += einsum(x534, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 + del x534 + x535 = np.zeros((naocc, naocc, nocc, nvir), dtype=np.float64) + x535 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) + x536 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x536 += einsum(t1[np.ix_(so,sv)], (0, 1), x535, (2, 3, 4, 1), (2, 3, 0, 4)) + del x535 + t3new += einsum(x536, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) + del x536 + x537 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x537 += einsum(x533, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 5, 2, 6)) + del x533 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x537, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x537 + x538 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x538 += einsum(x531, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 5, 2, 6)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x538, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) + del x538 + x539 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x539 += einsum(x531, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + del x531 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x539, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x539 + x540 = np.zeros((naocc, nvir), dtype=np.float64) + x540 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvO, (0, 1, 2, 3), (3, 2)) + x541 = np.zeros((naocc, naocc), dtype=np.float64) + x541 += einsum(t1[np.ix_(sO,sv)], (0, 1), x540, (2, 1), (0, 2)) + del x540 + t3new += einsum(x541, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + del x541 + x542 = np.zeros((naocc, nvir), dtype=np.float64) + x542 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvO, (0, 2, 1, 3), (3, 2)) + x543 = np.zeros((naocc, naocc), dtype=np.float64) + x543 += einsum(t1[np.ix_(sO,sv)], (0, 1), x542, (2, 1), (0, 2)) + del x542 + t3new += einsum(x543, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) + del x543 + x544 = np.zeros((naocc, naocc, navir, nocc), dtype=np.float64) + x544 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovOV, (2, 1, 3, 4), (0, 3, 4, 2)) + x545 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x545 += einsum(t1[np.ix_(so,sV)], (0, 1), x544, (2, 3, 4, 0), (2, 3, 1, 4)) + x546 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x546 += einsum(x545, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) + del x545 + t3new += einsum(x546, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new += einsum(x546, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x546 + x547 = np.zeros((naocc, naocc, navir, nocc), dtype=np.float64) + x547 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oVvO, (2, 3, 1, 4), (0, 4, 3, 2)) + x548 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x548 += einsum(t1[np.ix_(so,sV)], (0, 1), x547, (2, 3, 4, 0), (2, 3, 1, 4)) + del x547 + t3new += einsum(x548, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) + del x548 + x549 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x549 += einsum(t1[np.ix_(so,sv)], (0, 1), x155, (2, 3, 4, 0), (2, 3, 4, 1)) + del x155 + t3new += einsum(x549, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) + del x549 + x550 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) + x550 += einsum(t1[np.ix_(so,sv)], (0, 1), x544, (2, 3, 4, 0), (2, 3, 4, 1)) + del x544 + t3new += einsum(x550, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) + del x550 + x551 = np.zeros((naocc, navir, navir, nvir), dtype=np.float64) + x551 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovOV, (0, 2, 3, 4), (3, 1, 4, 2)) + x552 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) + x552 += einsum(t1[np.ix_(so,sv)], (0, 1), x551, (2, 3, 4, 1), (2, 3, 4, 0)) + del x551 + t3new += einsum(x552, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) + del x552 + x553 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x553 += einsum(t1[np.ix_(so,sv)], (0, 1), x62, (2, 3, 4, 0), (2, 3, 4, 1)) + del x62 + t3new += einsum(x553, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 + del x553 + x554 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x554 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x97, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x97 + t3new += einsum(x554, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x554, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x554 + x555 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x555 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 5, 0, 2), (1, 3, 4, 5)) + x556 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x556 += einsum(t1[np.ix_(so,sv)], (0, 1), x555, (2, 3, 4, 1), (2, 3, 0, 4)) + x557 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x557 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x556, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x556 + t3new += einsum(x557, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new += einsum(x557, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + del x557 + x558 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x558 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x99, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x99 + t3new += einsum(x558, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x558, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x558 + x559 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x559 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x93, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x93 + t3new += einsum(x559, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new += einsum(x559, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x559 + x560 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x560 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 2, 0, 5), (1, 3, 4, 5)) + x561 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x561 += einsum(t1[np.ix_(so,sv)], (0, 1), x560, (2, 3, 4, 1), (2, 3, 0, 4)) + x562 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x562 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x561, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x561 + t3new += einsum(x562, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x562, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x562 + x563 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x563 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x95, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x95 + t3new += einsum(x563, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x563, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x563 + x564 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x564 += einsum(t1[np.ix_(so,sv)], (0, 1), x157, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) + x565 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x565 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x564, (4, 5, 6, 7, 0, 1), (4, 5, 6, 7, 2, 3)) + t3new += einsum(x565, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x565, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x565 + x566 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x566 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x9, (4, 5, 0, 3), (1, 4, 5, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x566, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 + x567 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x567 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x566, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) + del x566 + t3new += einsum(x567, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x567, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x567 + x568 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x568 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x9, (4, 5, 0, 2), (1, 4, 5, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x568, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x568, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x568 + x569 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x569 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x9, (4, 0, 5, 3), (1, 4, 5, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x569, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x569, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x569 + x570 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x570 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x9, (4, 0, 5, 2), (1, 4, 5, 3)) + x571 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x571 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x570, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) + t3new += einsum(x571, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x571, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x571 + x572 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x572 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 2, 1, 5), (3, 0, 4, 5)) + x573 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x573 += einsum(t1[np.ix_(so,sv)], (0, 1), x572, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x573, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * -1.0 + del x573 + x574 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x574 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x9, (4, 1, 0, 5), (3, 4, 2, 5)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x574, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -1.0 + x575 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x575 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x574, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) + del x574 + t3new += einsum(x575, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x575, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 + t3new += einsum(x575, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x575 + x576 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x576 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x9, (4, 0, 1, 5), (3, 4, 2, 5)) + del x9 + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x576, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 + x577 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x577 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x576, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) + del x576 + t3new += einsum(x577, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 + t3new += einsum(x577, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 + del x577 + x578 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x578 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 5, 1, 2), (3, 0, 4, 5)) + x579 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x579 += einsum(t1[np.ix_(so,sv)], (0, 1), x578, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x579, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 + del x579 + x580 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x580 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x570, (4, 5, 0, 6), (4, 3, 5, 1, 6, 2)) + del x570 + t3new += einsum(x580, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x580, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x580 + x581 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x581 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 2, 0, 5), (3, 1, 4, 5)) + x582 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x582 += einsum(t1[np.ix_(so,sv)], (0, 1), x581, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x582, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 + del x582 + x583 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x583 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 5, 0, 2), (3, 1, 4, 5)) + x584 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x584 += einsum(t1[np.ix_(so,sv)], (0, 1), x583, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x584, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * 2.0 + del x584 + x585 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x585 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x157, (4, 5, 6, 7, 1, 2), (4, 5, 6, 0, 7, 3)) + x586 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x586 += einsum(t1[np.ix_(so,sv)], (0, 1), x585, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x585 + t3new += einsum(x586, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x586, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x586 + x587 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x587 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x87, (4, 5, 0, 6), (1, 3, 5, 4, 6, 2)) + x588 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x588 += einsum(t1[np.ix_(so,sv)], (0, 1), x587, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x587 + t3new += einsum(x588, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x588, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x588 + x589 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x589 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x555, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x555 + x590 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x590 += einsum(t1[np.ix_(so,sv)], (0, 1), x589, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x589 + t3new += einsum(x590, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new += einsum(x590, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x590 + x591 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x591 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x560, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x560 + x592 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x592 += einsum(t1[np.ix_(so,sv)], (0, 1), x591, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x591 + t3new += einsum(x592, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x592, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x592 + x593 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x593 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x157, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) + x594 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x594 += einsum(t1[np.ix_(so,sv)], (0, 1), x593, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x593 + t3new += einsum(x594, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x594, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x594 + x595 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x595 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x157, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) + x596 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x596 += einsum(t1[np.ix_(so,sv)], (0, 1), x595, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x595 + t3new += einsum(x596, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new += einsum(x596, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x596 + x597 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x597 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x157, (4, 5, 6, 1, 7, 2), (4, 5, 6, 0, 7, 3)) + del x157 + x598 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x598 += einsum(t1[np.ix_(so,sv)], (0, 1), x597, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x597 + t3new += einsum(x598, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x598, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x598 + x599 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x599 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x572, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) + x600 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x600 += einsum(t1[np.ix_(so,sv)], (0, 1), x599, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x599 + t3new += einsum(x600, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x600, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x600 + x601 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x601 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x578, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x601, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x601 + x602 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) + x602 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 5, 2), (1, 0, 4, 5)) + x603 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x603 += einsum(t1[np.ix_(so,sv)], (0, 1), x602, (2, 3, 4, 0), (2, 3, 4, 1)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x603, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 + x604 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x604 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x603, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) + del x603 + t3new += einsum(x604, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x604, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x604 + x605 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x605 += einsum(t1[np.ix_(so,sv)], (0, 1), x602, (2, 3, 0, 4), (2, 3, 4, 1)) + del x602 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x605, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x605, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x605 + x606 = np.zeros((naocc, nocc, nvir, nvir), dtype=np.float64) + x606 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 0, 5), (1, 4, 2, 5)) + x607 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x607 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x606, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) + del x606 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x607, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x607 + x608 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x608 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x581, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x608, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x608 + x609 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x609 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x583, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x609, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 + del x609 + x610 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x610 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x578, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) + del x578 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x610, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x610 + x611 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x611 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x572, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) + del x572 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x611, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x611 + x612 = np.zeros((naocc, nocc, nvir, nvir), dtype=np.float64) + x612 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 0, 2), (1, 4, 3, 5)) + x613 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x613 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x612, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) + del x612 + x614 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x614 += einsum(t1[np.ix_(so,sv)], (0, 1), x613, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x613 + t3new += einsum(x614, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x614, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x614 + x615 = np.zeros((naocc, nocc, nvir, nvir), dtype=np.float64) + x615 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 2, 0, 5), (1, 4, 3, 5)) + x616 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x616 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x615, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) + del x615 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x616, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x616 + x617 = np.zeros((naocc, nocc, nvir, nvir), dtype=np.float64) + x617 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 0, 3), (1, 4, 2, 5)) + x618 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x618 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x617, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) + del x617 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x618, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x618 + x619 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x619 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x581, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) + del x581 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x619, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x619 + x620 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x620 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x583, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) + del x583 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x620, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x620 + x621 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x621 += einsum(x0, (0, 1), t2[np.ix_(so,sO,sv,sV)], (2, 3, 1, 4), (3, 4, 2, 0)) + x622 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x622 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x621, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x621 + t3new += einsum(x622, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new += einsum(x622, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x622 + x623 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x623 += einsum(x15, (0, 1), t2[np.ix_(so,sO,sv,sV)], (2, 3, 1, 4), (3, 4, 2, 0)) + x624 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x624 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x623, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x623 + t3new += einsum(x624, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x624, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x624 + x625 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x625 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x104, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x104 + t3new += einsum(x625, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new += einsum(x625, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + del x625 + x626 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x626 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x106, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x106 + t3new += einsum(x626, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x626, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x626 + x627 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x627 += einsum(x0, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 4, 1), (3, 2, 0, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x627, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * 2.0 + x628 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x628 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x627, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) + del x627 + t3new += einsum(x628, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new += einsum(x628, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x628 + x629 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x629 += einsum(x15, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 4, 1), (3, 2, 0, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x629, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 + x630 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x630 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x629, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) + del x629 + t3new += einsum(x630, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x630, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x630 + x631 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x631 += einsum(x0, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 1, 4), (3, 2, 0, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x631, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x631, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * 2.0 + del x631 + x632 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x632 += einsum(x15, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 1, 4), (3, 2, 0, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x632, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x632, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x632 + x633 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x633 += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sV)], (2, 3, 1, 4), (4, 3, 2, 0)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x633, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * 2.0 + del x633 + x634 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x634 += einsum(x15, (0, 1), t2[np.ix_(so,so,sv,sV)], (2, 3, 1, 4), (4, 3, 2, 0)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x634, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * -1.0 + del x634 + x635 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x635 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x168, (4, 1, 5, 3), (4, 0, 2, 5)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x635, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -1.0 + x636 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x636 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x635, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) + del x635 + t3new += einsum(x636, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x636, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x636 + x637 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x637 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 2, 3), (1, 4, 0, 5)) + x638 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x638 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x637, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x637 + t3new += einsum(x638, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x638, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x638 + x639 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x639 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x168, (4, 1, 5, 2), (4, 0, 3, 5)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x639, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x639, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 + del x639 + x640 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x640 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x168, (4, 1, 3, 5), (4, 0, 2, 5)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x640, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * 2.0 + x641 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x641 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x640, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) + del x640 + t3new += einsum(x641, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new += einsum(x641, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x641 + x642 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x642 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x168, (4, 1, 2, 5), (4, 0, 3, 5)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x642, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -1.0 + x643 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x643 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x642, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) + del x642 + t3new += einsum(x643, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x643, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x643 + x644 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x644 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 0, 3, 5), (1, 4, 2, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x644, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -1.0 + del x644 + x645 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x645 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 2, 3), (4, 0, 1, 5)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x645, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 + del x645 + x646 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x646 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 0, 2, 5), (1, 4, 3, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x646, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 2.0 + del x646 + x647 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x647 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 0, 5, 3), (1, 4, 2, 5)) + x648 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x648 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x647, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x647 + t3new += einsum(x648, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x648, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x648 + x649 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x649 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 0, 5, 2), (1, 4, 3, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x649, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -1.0 + del x649 + x650 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x650 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 3, 2), (1, 4, 0, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x650, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + del x650 + x651 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x651 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 5, 1, 3), (4, 0, 5, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x651, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 + x652 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x652 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x651, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) + del x651 + t3new += einsum(x652, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x652, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x652 + x653 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x653 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 5, 1, 2), (4, 0, 5, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x653, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x653, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x653 + x654 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x654 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 1, 5, 3), (4, 0, 5, 2)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x654, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * 2.0 + x655 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x655 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x654, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) + del x654 + t3new += einsum(x655, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new += einsum(x655, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x655 + x656 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x656 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 5, 1, 2), (4, 3, 0, 5)) + x657 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x657 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x656, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x656 + t3new += einsum(x657, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x657, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x657 + x658 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x658 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 1, 5, 2), (4, 0, 5, 3)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x658, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 + x659 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x659 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x658, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) + del x658 + t3new += einsum(x659, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new += einsum(x659, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x659 + x660 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x660 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 1, 0, 5), (4, 3, 2, 5)) + x661 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x661 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x660, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x660 + t3new += einsum(x661, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 + t3new += einsum(x661, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 + del x661 + x662 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x662 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 0, 1, 5), (4, 3, 2, 5)) + x663 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x663 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x662, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x662 + t3new += einsum(x663, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 0.5 + t3new += einsum(x663, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x663, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 0.5 + del x663 + x664 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x664 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 1, 5, 2), (4, 3, 0, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x664, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + del x664 + x665 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x665 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 0, 5, 2), (4, 3, 1, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x665, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 + del x665 + x666 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x666 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 5, 0, 2), (4, 3, 1, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x666, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + del x666 + x667 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x667 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 0, 1, 5), (4, 2, 3, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x667, (4, 5, 6, 2), (1, 0, 4, 6, 5, 3)) * -1.0 + del x667 + x668 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x668 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 0, 3), (1, 2, 4, 5)) + x669 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x669 += einsum(t1[np.ix_(so,sv)], (0, 1), x668, (2, 3, 4, 1), (2, 3, 0, 4)) + x670 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x670 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x669, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x669 + t3new += einsum(x670, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x670, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x670 + x671 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x671 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 0, 5), (1, 2, 4, 5)) + x672 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x672 += einsum(t1[np.ix_(so,sv)], (0, 1), x671, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x672, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + del x672 + x673 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x673 += einsum(t1[np.ix_(so,sv)], (0, 1), x187, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x673, (4, 5, 6, 7, 0, 1), (7, 6, 4, 3, 2, 5)) * -1.0 + x674 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x674 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x668, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x668 + x675 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x675 += einsum(t1[np.ix_(so,sv)], (0, 1), x674, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x674 + t3new += einsum(x675, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x675, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x675 + x676 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x676 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x671, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x671 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x676, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x676 + x677 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x677 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x187, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x677, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x677 + x678 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x678 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x187, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x678, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 2.0 + del x678 + x679 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x679 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x187, (4, 5, 6, 1, 7, 2), (4, 5, 6, 0, 7, 3)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x679, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x679 + x680 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x680 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x87, (4, 5, 0, 6), (1, 2, 5, 4, 6, 3)) + del x87 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x680, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x680 + x681 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x681 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x187, (4, 5, 6, 7, 1, 2), (4, 5, 6, 0, 7, 3)) + del x187 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x681, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x681 + x682 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x682 += einsum(x0, (0, 1), t2[np.ix_(so,sO,sV,sv)], (2, 3, 4, 1), (3, 4, 2, 0)) + del x0 + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x682, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 + del x682 + x683 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x683 += einsum(x15, (0, 1), t2[np.ix_(so,sO,sV,sv)], (2, 3, 4, 1), (3, 4, 2, 0)) + del x15 + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x683, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + del x683 + x684 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x684 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x92, (4, 5, 0, 6), (1, 3, 5, 4, 6, 2)) + x685 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x685 += einsum(t1[np.ix_(so,sv)], (0, 1), x684, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x684 + t3new += einsum(x685, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x685, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x685 + x686 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x686 += einsum(t1[np.ix_(so,sv)], (0, 1), x564, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x564 + x687 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x687 += einsum(t1[np.ix_(so,sv)], (0, 1), x686, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x686 + t3new += einsum(x687, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x687, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x687 + x688 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x688 += einsum(t1[np.ix_(so,sv)], (0, 1), x168, (2, 3, 1, 4), (2, 0, 3, 4)) + x689 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x689 += einsum(t1[np.ix_(so,sv)], (0, 1), x688, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x689, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 + del x689 + x690 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x690 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x688, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) + x691 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x691 += einsum(t1[np.ix_(so,sv)], (0, 1), x690, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x690 + t3new += einsum(x691, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x691, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x691 + x692 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x692 += einsum(t1[np.ix_(so,sv)], (0, 1), x168, (2, 3, 4, 1), (2, 0, 3, 4)) + del x168 + x693 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x693 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x692, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x693, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x693 + x694 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x694 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x692, (4, 5, 6, 2), (1, 4, 5, 0, 6, 3)) + del x692 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x694, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x694 + x695 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x695 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x688, (4, 5, 6, 2), (1, 4, 5, 0, 6, 3)) + del x688 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x695, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x695 + x696 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) + x696 += einsum(t1[np.ix_(so,sv)], (0, 1), x179, (2, 3, 4, 1), (2, 0, 4, 3)) + x697 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x697 += einsum(t1[np.ix_(so,sv)], (0, 1), x696, (2, 3, 4, 0), (2, 3, 4, 1)) + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x697, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 + x698 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x698 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x697, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) + del x697 + t3new += einsum(x698, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new += einsum(x698, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x698 + x699 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x699 += einsum(t1[np.ix_(so,sv)], (0, 1), x696, (2, 3, 0, 4), (2, 3, 4, 1)) + del x696 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x699, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x699, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x699 + x700 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x700 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 5, 6, 2), (4, 3, 1, 0, 6, 5)) + del x179 + x701 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x701 += einsum(t1[np.ix_(so,sv)], (0, 1), x700, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x700 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x701, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x701 + x702 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x702 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ovov, (4, 3, 0, 5), (2, 1, 4, 5)) + x703 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x703 += einsum(t1[np.ix_(so,sv)], (0, 1), x702, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x703, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + del x703 + x704 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x704 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ovov, (4, 5, 0, 3), (2, 1, 4, 5)) + x705 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x705 += einsum(t1[np.ix_(so,sv)], (0, 1), x704, (2, 3, 4, 1), (2, 3, 0, 4)) + x706 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x706 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x705, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x705 + t3new += einsum(x706, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + t3new += einsum(x706, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + del x706 + x707 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x707 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x702, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x702 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x707, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x707 + x708 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x708 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x704, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x704 + x709 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x709 += einsum(t1[np.ix_(so,sv)], (0, 1), x708, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x708 + t3new += einsum(x709, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) + t3new += einsum(x709, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) + del x709 + x710 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x710 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x92, (4, 5, 0, 6), (1, 2, 5, 4, 6, 3)) + del x92 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x710, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x710 + x711 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x711 += einsum(t1[np.ix_(so,sv)], (0, 1), x673, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x673 + t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x711, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x711 + + return {"t1new": t1new, "t2new": t2new, "t3new": t3new} + From a89b05386c2b493e67e039d358ff8d50774ea4d7 Mon Sep 17 00:00:00 2001 From: Ollie Backhouse Date: Wed, 25 Oct 2023 23:07:15 +0100 Subject: [PATCH 02/10] Fix T3 slicing --- ebcc/codegen/GCCSDt.py | 152 +++++------ ebcc/codegen/RCCSDt.py | 578 ++++++++++++++++++++--------------------- 2 files changed, 365 insertions(+), 365 deletions(-) diff --git a/ebcc/codegen/GCCSDt.py b/ebcc/codegen/GCCSDt.py index 5f22f167..73f0e14c 100644 --- a/ebcc/codegen/GCCSDt.py +++ b/ebcc/codegen/GCCSDt.py @@ -25,6 +25,8 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) sv = np.ones((nvir,), dtype=bool) sO = space.active[space.correlated][space.occupied[space.correlated]] sV = space.active[space.correlated][space.virtual[space.correlated]] + sOf = np.ones((naocc,), dtype=bool) + sVf = np.ones((navir,), dtype=bool) # T amplitudes t1new = np.zeros((nocc, nvir), dtype=np.float64) @@ -35,20 +37,20 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 1, 0, 3), (2, 3)) * -1.0 t1new[np.ix_(so,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (0, 1, 4, 3), (4, 2)) * -0.5 t1new[np.ix_(so,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvv, (1, 4, 2, 3), (0, 4)) * -0.5 - t1new[np.ix_(so,sv)] += einsum(v.oOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 1, 5, 2, 3), (4, 5)) * 0.25 + t1new[np.ix_(so,sv)] += einsum(v.oOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 1, 5, 2, 3), (4, 5)) * 0.25 t2new = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) t2new[np.ix_(so,so,sv,sv)] += einsum(v.oovv, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(f.OV, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) + t2new[np.ix_(so,so,sv,sv)] += einsum(f.OV, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oooo, (4, 5, 0, 1), (4, 5, 2, 3)) * 0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.vvvv, (4, 5, 2, 3), (0, 1, 4, 5)) * 0.5 t3new = np.zeros((nocc, nocc, naocc, nvir, nvir, navir), dtype=np.float64) - t3new += einsum(f.OO, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -1.0 - t3new += einsum(f.VV, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) + t3new += einsum(f.OO, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -1.0 + t3new += einsum(f.VV, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oooV, (4, 5, 0, 6), (4, 5, 1, 2, 3, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.vvvO, (4, 5, 2, 6), (0, 1, 6, 4, 5, 3)) * -1.0 - t3new += einsum(v.oooo, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 7), (0, 1, 4, 5, 6, 7)) * 0.5 - t3new += einsum(v.OVOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 2, 6, 7, 1), (4, 5, 0, 6, 7, 3)) * -1.0 - t3new += einsum(v.vvvv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 2, 3, 7), (4, 5, 6, 0, 1, 7)) * 0.5 + t3new += einsum(v.oooo, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 7), (0, 1, 4, 5, 6, 7)) * 0.5 + t3new += einsum(v.OVOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 6, 7, 1), (4, 5, 0, 6, 7, 3)) * -1.0 + t3new += einsum(v.vvvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 2, 3, 7), (4, 5, 6, 0, 1, 7)) * 0.5 x0 = np.zeros((nocc, nocc), dtype=np.float64) x0 += einsum(f.ov, (0, 1), t1[np.ix_(so,sv)], (2, 1), (0, 2)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x0, (0, 2), (2, 1)) * -1.0 @@ -98,12 +100,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new[np.ix_(so,so,sv,sv)] += einsum(x11, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x11 x12 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) - x12 += einsum(v.oOoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 1, 5, 6, 3), (4, 2, 5, 6)) + x12 += einsum(v.oOoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 1, 5, 6, 3), (4, 2, 5, 6)) t2new[np.ix_(so,so,sv,sv)] += einsum(x12, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x12, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 del x12 x13 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) - x13 += einsum(v.vOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 2, 3), (4, 5, 6, 0)) + x13 += einsum(v.vOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 2, 3), (4, 5, 6, 0)) t2new[np.ix_(so,so,sv,sv)] += einsum(x13, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x13, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 del x13 @@ -181,13 +183,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x31 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) x31 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvV, (2, 3, 1, 4), (3, 4, 0, 2)) x32 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) - x32 += einsum(x31, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) + x32 += einsum(x31, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) del x31 t2new[np.ix_(so,so,sv,sv)] += einsum(x32, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x32, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 del x32 x33 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) - x33 += einsum(v.oOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 2, 3), (4, 5, 0, 6)) + x33 += einsum(v.oOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 2, 3), (4, 5, 0, 6)) x34 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) x34 += einsum(t1[np.ix_(so,sv)], (0, 1), x33, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x34, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 @@ -195,12 +197,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x34 x35 = np.zeros((naocc, navir), dtype=np.float64) x35 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvV, (0, 2, 1, 3), (2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x35, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) + t2new[np.ix_(so,so,sv,sv)] += einsum(x35, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) del x35 x36 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) x36 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 1, 5, 3), (0, 4, 2, 5)) x37 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) - x37 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x36, (4, 1, 5, 3), (0, 4, 2, 5)) + x37 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x36, (4, 1, 5, 3), (4, 0, 5, 2)) del x36 t2new[np.ix_(so,so,sv,sv)] += einsum(x37, (0, 1, 2, 3), (0, 1, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x37, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 @@ -220,7 +222,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x41 = np.zeros((nocc, nocc, nocc, nocc), dtype=np.float64) x41 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 5, 2, 3), (0, 1, 4, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x41, (4, 5, 0, 1), (5, 4, 2, 3)) * -0.25 - t3new += einsum(x41, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) * -0.25 + t3new += einsum(x41, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) * -0.25 x42 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) x42 += einsum(t1[np.ix_(so,sv)], (0, 1), x21, (2, 0, 3, 4), (2, 3, 4, 1)) * -1.0 x43 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) @@ -238,8 +240,8 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x45 x46 = np.zeros((nocc, nocc, nocc, nocc), dtype=np.float64) x46 += einsum(t1[np.ix_(so,sv)], (0, 1), x3, (2, 3, 4, 1), (2, 0, 4, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x46, (4, 5, 1, 0), (5, 4, 2, 3)) * 0.5 - t3new += einsum(x46, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 2, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) * 0.5 + t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x46, (4, 5, 0, 1), (5, 4, 2, 3)) * -0.5 + t3new += einsum(x46, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) * -0.5 x47 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) x47 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x3, (4, 1, 5, 3), (4, 0, 5, 2)) x48 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) @@ -270,12 +272,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x53, (2, 3, 0, 4), (3, 2, 1, 4)) * -1.0 del x53 x54 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x54 += einsum(f.oo, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + x54 += einsum(f.oo, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) t3new += einsum(x54, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x54, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x54 x55 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x55 += einsum(f.vv, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x55 += einsum(f.vv, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) t3new += einsum(x55, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x55, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x55 @@ -314,40 +316,40 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x61, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x61 x62 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x62 += einsum(v.oOoO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 3, 5, 6, 7), (1, 7, 4, 0, 5, 6)) + x62 += einsum(v.oOoO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 3, 5, 6, 7), (1, 7, 4, 0, 5, 6)) t3new += einsum(x62, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 t3new += einsum(x62, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 del x62 x63 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x63 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) + x63 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) t3new += einsum(x63, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 t3new += einsum(x63, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x63, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x63, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x63 x64 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x64 += einsum(v.oVoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 6, 7, 1), (5, 3, 4, 0, 6, 7)) + x64 += einsum(v.oVoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 7, 1), (5, 3, 4, 0, 6, 7)) t3new += einsum(x64, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 t3new += einsum(x64, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x64 x65 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x65 += einsum(v.vOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 2, 7), (3, 7, 4, 5, 6, 0)) + x65 += einsum(v.vOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 2, 7), (3, 7, 4, 5, 6, 0)) t3new += einsum(x65, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x65, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x65 x66 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x66 += einsum(v.vVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 2, 3), (6, 1, 4, 5, 7, 0)) + x66 += einsum(v.vVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 2, 3), (6, 1, 4, 5, 7, 0)) t3new += einsum(x66, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 t3new += einsum(x66, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 del x66 x67 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x67 += einsum(x0, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 0, 3, 4, 5, 6), (3, 6, 1, 2, 4, 5)) + x67 += einsum(x0, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 0, 3, 4, 5, 6), (3, 6, 1, 2, 4, 5)) del x0 t3new += einsum(x67, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x67, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x67 x68 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x68 += einsum(f.ov, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) + x68 += einsum(f.ov, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) x69 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x69 += einsum(t1[np.ix_(so,sv)], (0, 1), x68, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) del x68 @@ -356,11 +358,11 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x69 x70 = np.zeros((navir, navir), dtype=np.float64) x70 += einsum(f.oV, (0, 1), t1[np.ix_(so,sV)], (0, 2), (1, 2)) - t3new += einsum(x70, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -1.0 + t3new += einsum(x70, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -1.0 del x70 x71 = np.zeros((naocc, naocc), dtype=np.float64) x71 += einsum(f.vO, (0, 1), t1[np.ix_(sO,sv)], (2, 0), (1, 2)) - t3new += einsum(x71, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -1.0 + t3new += einsum(x71, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -1.0 del x71 x72 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) x72 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sv,sV)], (2, 3, 1, 4), (3, 4, 0, 2)) @@ -557,20 +559,20 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x114, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) del x114 x115 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x115 += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 2, 4, 5, 6, 7), (4, 7, 0, 3, 5, 6)) + x115 += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 4, 5, 6, 7), (4, 7, 0, 3, 5, 6)) t3new += einsum(x115, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x115, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 del x115 x116 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) x116 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvO, (2, 3, 1, 4), (3, 4, 0, 2)) x117 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x117 += einsum(x116, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 0, 5, 6, 7), (1, 7, 2, 4, 5, 6)) + x117 += einsum(x116, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 0, 5, 6, 7), (1, 7, 2, 4, 5, 6)) del x116 t3new += einsum(x117, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x117, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 del x117 x118 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x118 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) + x118 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) x119 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x119 += einsum(t1[np.ix_(so,sv)], (0, 1), x118, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x118 @@ -580,13 +582,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x119 x120 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x120 += einsum(x1, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 0, 3, 4, 5, 6), (3, 6, 2, 1, 4, 5)) * -1.0 + x120 += einsum(x1, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 0, 3, 4, 5, 6), (3, 6, 2, 1, 4, 5)) * -1.0 del x1 t3new += einsum(x120, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x120, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x120 x121 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x121 += einsum(v.oOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 2, 7), (3, 7, 4, 5, 0, 6)) + x121 += einsum(v.oOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 2, 7), (3, 7, 4, 5, 0, 6)) x122 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x122 += einsum(t1[np.ix_(so,sv)], (0, 1), x121, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x121 @@ -595,10 +597,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x122 x123 = np.zeros((naocc, naocc), dtype=np.float64) x123 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvO, (0, 2, 1, 3), (2, 3)) - t3new += einsum(x123, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -1.0 + t3new += einsum(x123, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -1.0 del x123 x124 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x124 += einsum(x26, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) * -1.0 + x124 += einsum(x26, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) * -1.0 del x26 t3new += einsum(x124, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x124, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) @@ -606,7 +608,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x124, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 del x124 x125 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x125 += einsum(v.ovvv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 2, 3, 7), (6, 7, 4, 5, 0, 1)) + x125 += einsum(v.ovvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 2, 3, 7), (6, 7, 4, 5, 0, 1)) x126 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x126 += einsum(t1[np.ix_(so,sv)], (0, 1), x125, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x125 @@ -614,7 +616,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x126, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 del x126 x127 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x127 += einsum(x2, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) * -1.0 + x127 += einsum(x2, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) * -1.0 del x2 t3new += einsum(x127, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x127, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) @@ -622,13 +624,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x128 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) x128 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvV, (2, 3, 1, 4), (3, 4, 0, 2)) x129 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x129 += einsum(x128, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + x129 += einsum(x128, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x128 t3new += einsum(x129, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x129, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x129 x130 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x130 += einsum(v.oVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 2, 3), (6, 1, 4, 5, 0, 7)) + x130 += einsum(v.oVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 2, 3), (6, 1, 4, 5, 0, 7)) x131 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x131 += einsum(t1[np.ix_(so,sv)], (0, 1), x130, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x130 @@ -637,24 +639,24 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x131 x132 = np.zeros((navir, navir), dtype=np.float64) x132 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvV, (0, 2, 1, 3), (2, 3)) - t3new += einsum(x132, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) + t3new += einsum(x132, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) del x132 x133 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) x133 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooV, (2, 0, 3, 4), (1, 4, 3, 2)) * -1.0 x134 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x134 += einsum(x133, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 5, 6, 7, 1), (5, 0, 4, 2, 6, 7)) * -1.0 + x134 += einsum(x133, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (5, 0, 4, 2, 6, 7)) * -1.0 del x133 t3new += einsum(x134, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x134, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x134 x135 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) x135 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oOOV, (0, 2, 3, 4), (3, 2, 1, 4)) * -1.0 - t3new += einsum(x135, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) + t3new += einsum(x135, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) del x135 x136 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) x136 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvV, (0, 2, 3, 4), (1, 4, 3, 2)) * -1.0 x137 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x137 += einsum(x136, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 2, 1), (6, 0, 4, 5, 7, 3)) + x137 += einsum(x136, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 2, 1), (6, 0, 4, 5, 7, 3)) del x136 t3new += einsum(x137, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x137, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 @@ -662,7 +664,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x138 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) x138 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovoO, (2, 1, 3, 4), (0, 4, 3, 2)) * -1.0 x139 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x139 += einsum(x138, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 1, 5, 6, 7), (0, 7, 4, 3, 5, 6)) + x139 += einsum(x138, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 1, 5, 6, 7), (0, 7, 4, 3, 5, 6)) del x138 t3new += einsum(x139, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 t3new += einsum(x139, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 @@ -670,14 +672,14 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x140 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) x140 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvO, (2, 1, 3, 4), (0, 4, 3, 2)) * -1.0 x141 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x141 += einsum(x140, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 6, 2)) * -1.0 + x141 += einsum(x140, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 6, 2)) * -1.0 del x140 t3new += einsum(x141, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x141, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x141 x142 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) x142 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vVOV, (1, 2, 3, 4), (0, 3, 4, 2)) * -1.0 - t3new += einsum(x142, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) + t3new += einsum(x142, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) del x142 x143 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) x143 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovO, (4, 1, 3, 5), (5, 0, 4, 2)) * -1.0 @@ -842,7 +844,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x178, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -0.5 del x178 x179 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) - x179 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 4, 5, 3, 6), (4, 6, 5, 2)) + x179 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 4, 5, 3, 6), (4, 6, 5, 2)) x180 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x180 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x179 @@ -850,7 +852,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x180, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 del x180 x181 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) - x181 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 2, 3, 6), (5, 6, 4, 0)) + x181 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 2, 3, 6), (5, 6, 4, 0)) x182 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x182 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x181, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x181 @@ -858,7 +860,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x182, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 del x182 x183 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x183 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 6, 2)) + x183 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 6, 2)) x184 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x184 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x183, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) del x183 @@ -868,26 +870,26 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x184, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x184 x185 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x185 += einsum(x4, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 + x185 += einsum(x4, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 del x4 t3new += einsum(x185, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x185, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 del x185 x186 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) - x186 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 2, 3, 7), (6, 7, 4, 5, 0, 1)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x186, (4, 5, 6, 7, 1, 0), (6, 7, 4, 2, 3, 5)) * -0.25 + x186 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 2, 3, 7), (6, 7, 4, 5, 0, 1)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x186, (4, 5, 6, 7, 0, 1), (6, 7, 4, 2, 3, 5)) * 0.25 x187 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x187 += einsum(x39, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 + x187 += einsum(x39, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 del x39 t3new += einsum(x187, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 t3new += einsum(x187, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 del x187 x188 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) - x188 += einsum(v.oovV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 4, 5, 6, 3), (4, 5, 6, 2)) * -1.0 + x188 += einsum(v.oovV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 4, 5, 6, 3), (4, 5, 6, 2)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x188, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * 0.5 del x188 x189 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) - x189 += einsum(v.oovV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 2, 3), (5, 4, 0, 6)) * -1.0 + x189 += einsum(v.oovV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 2, 3), (5, 4, 0, 6)) * -1.0 x190 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x190 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x189, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x189 @@ -899,7 +901,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x191 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) x191 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovV, (4, 1, 2, 5), (3, 5, 0, 4)) x192 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x192 += einsum(x191, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) * -1.0 + x192 += einsum(x191, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) * -1.0 del x191 t3new += einsum(x192, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x192, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) @@ -907,17 +909,17 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x193 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) x193 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovV, (0, 1, 4, 5), (3, 5, 2, 4)) x194 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x194 += einsum(x193, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + x194 += einsum(x193, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) del x193 t3new += einsum(x194, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.25 t3new += einsum(x194, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.25 del x194 x195 = np.zeros((navir, navir), dtype=np.float64) x195 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovV, (0, 1, 2, 4), (3, 4)) - t3new += einsum(x195, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -0.5 + t3new += einsum(x195, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -0.5 del x195 x196 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) - x196 += einsum(v.oOvv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 1, 5, 3, 6), (6, 4, 5, 2)) * -1.0 + x196 += einsum(v.oOvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 1, 5, 3, 6), (6, 4, 5, 2)) * -1.0 x197 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x197 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x196, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x196 @@ -929,31 +931,31 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x198 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) x198 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oOvv, (4, 5, 2, 3), (1, 5, 0, 4)) x199 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x199 += einsum(x198, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + x199 += einsum(x198, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x198 t3new += einsum(x199, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.25 t3new += einsum(x199, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.25 del x199 x200 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) - x200 += einsum(v.oOvv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 2, 3, 6), (6, 4, 5, 0)) * -1.0 + x200 += einsum(v.oOvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 2, 3, 6), (6, 4, 5, 0)) * -1.0 t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x200, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * 0.5 del x200 x201 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) x201 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oOvv, (0, 4, 5, 3), (1, 4, 2, 5)) x202 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x202 += einsum(x201, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) * -1.0 + x202 += einsum(x201, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) * -1.0 del x201 t3new += einsum(x202, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x202, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x202 x203 = np.zeros((naocc, naocc), dtype=np.float64) x203 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oOvv, (0, 4, 2, 3), (1, 4)) - t3new += einsum(x203, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -0.5 + t3new += einsum(x203, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -0.5 del x203 x204 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) x204 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oOvV, (4, 5, 2, 6), (1, 5, 3, 6, 0, 4)) x205 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x205 += einsum(t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x204, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) + x205 += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x204, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) del x204 t3new += einsum(x205, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 t3new += einsum(x205, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 @@ -966,7 +968,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x206 x207 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) x207 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oOvV, (0, 4, 2, 5), (1, 4, 3, 5)) - t3new += einsum(x207, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) + t3new += einsum(x207, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) del x207 x208 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) x208 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovO, (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 @@ -1165,7 +1167,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x253, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x253 x254 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x254 += einsum(x3, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) + x254 += einsum(x3, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) x255 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x255 += einsum(t1[np.ix_(so,sv)], (0, 1), x254, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x254 @@ -1175,7 +1177,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x255 x256 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x256 += einsum(x6, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 + x256 += einsum(x6, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 del x6 t3new += einsum(x256, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x256, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 @@ -1186,7 +1188,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x257, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 0.5 del x257 x258 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x258 += einsum(x5, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 + x258 += einsum(x5, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 x259 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x259 += einsum(t1[np.ix_(so,sv)], (0, 1), x258, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x258 @@ -1198,13 +1200,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x261 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) x261 += einsum(t1[np.ix_(so,sv)], (0, 1), x260, (2, 3, 4, 1), (2, 3, 0, 4)) x262 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x262 += einsum(x261, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) * -1.0 + x262 += einsum(x261, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) * -1.0 del x261 t3new += einsum(x262, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x262, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x262 x263 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x263 += einsum(x260, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + x263 += einsum(x260, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) del x260 x264 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x264 += einsum(t1[np.ix_(so,sv)], (0, 1), x263, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 @@ -1217,20 +1219,20 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x266 = np.zeros((navir, navir), dtype=np.float64) x266 += einsum(t1[np.ix_(so,sV)], (0, 1), x265, (2, 0), (1, 2)) del x265 - t3new += einsum(x266, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -1.0 + t3new += einsum(x266, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -1.0 del x266 x267 = np.zeros((naocc, naocc, nocc, nvir), dtype=np.float64) x267 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oOvv, (2, 3, 4, 1), (0, 3, 2, 4)) * -1.0 x268 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) x268 += einsum(t1[np.ix_(so,sv)], (0, 1), x267, (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 x269 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x269 += einsum(x268, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + x269 += einsum(x268, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x268 t3new += einsum(x269, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x269, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 del x269 x270 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x270 += einsum(x267, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) * -1.0 + x270 += einsum(x267, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) * -1.0 del x267 x271 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x271 += einsum(t1[np.ix_(so,sv)], (0, 1), x270, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) @@ -1243,14 +1245,14 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x273 = np.zeros((naocc, naocc), dtype=np.float64) x273 += einsum(t1[np.ix_(sO,sv)], (0, 1), x272, (2, 1), (0, 2)) del x272 - t3new += einsum(x273, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -1.0 + t3new += einsum(x273, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -1.0 del x273 x274 = np.zeros((naocc, naocc, navir, nocc), dtype=np.float64) x274 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oOvV, (2, 3, 1, 4), (0, 3, 4, 2)) x275 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) x275 += einsum(t1[np.ix_(so,sV)], (0, 1), x274, (2, 3, 4, 0), (2, 3, 1, 4)) del x274 - t3new += einsum(x275, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -1.0 + t3new += einsum(x275, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -1.0 del x275 x276 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x276 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x47, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) @@ -1275,7 +1277,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x281 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) x281 += einsum(t1[np.ix_(so,sv)], (0, 1), x280, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 6, 5)) * -1.0 x282 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x282 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x281, (4, 5, 6, 7, 1, 0), (4, 5, 6, 7, 2, 3)) * -1.0 + x282 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x281, (4, 5, 6, 7, 0, 1), (4, 5, 6, 7, 2, 3)) t3new += einsum(x282, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 t3new += einsum(x282, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 del x282 diff --git a/ebcc/codegen/RCCSDt.py b/ebcc/codegen/RCCSDt.py index 16560f96..e1885f7b 100644 --- a/ebcc/codegen/RCCSDt.py +++ b/ebcc/codegen/RCCSDt.py @@ -11,16 +11,12 @@ def energy(f=None, v=None, nocc=None, nvir=None, t1=None, t2=None, t3=None, **kw x0 += einsum(v.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) e_cc = 0 e_cc += einsum(t2, (0, 1, 2, 3), x0, (0, 1, 2, 3), ()) * 2.0 + x1 = np.zeros((nocc, nvir), dtype=np.float64) + x1 += einsum(f.ov, (0, 1), (0, 1)) + x1 += einsum(t1, (0, 1), x0, (0, 2, 1, 3), (2, 3)) del x0 - x1 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) - x1 += einsum(v.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) - x1 += einsum(v.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) * -0.5 - x2 = np.zeros((nocc, nvir), dtype=np.float64) - x2 += einsum(f.ov, (0, 1), (0, 1)) - x2 += einsum(t1, (0, 1), x1, (0, 2, 3, 1), (2, 3)) + e_cc += einsum(t1, (0, 1), x1, (0, 1), ()) * 2.0 del x1 - e_cc += einsum(t1, (0, 1), x2, (0, 1), ()) * 2.0 - del x2 return e_cc @@ -33,6 +29,8 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) sv = np.ones((nvir,), dtype=bool) sO = space.active[space.correlated][space.occupied[space.correlated]] sV = space.active[space.correlated][space.virtual[space.correlated]] + sOf = np.ones((naocc,), dtype=bool) + sVf = np.ones((navir,), dtype=bool) # T amplitudes t1new = np.zeros((nocc, nvir), dtype=np.float64) @@ -43,24 +41,24 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t1new[np.ix_(so,sv)] += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 1, 3), (2, 3)) * -1.0 t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovv, (2, 0, 3, 1), (2, 3)) * -1.0 t1new[np.ix_(so,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvv, (1, 2, 4, 3), (0, 4)) * -1.0 - t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 2, 5, 1, 3), (4, 5)) * 0.5 - t1new[np.ix_(so,sv)] += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 3, 5, 2, 1), (4, 5)) * -0.5 - t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 2, 1, 5, 3), (4, 5)) * -0.25 - t1new[np.ix_(so,sv)] += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 3, 2, 5, 1), (4, 5)) * 0.25 - t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 2, 5, 1, 3), (4, 5)) - t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 4, 2, 1, 5, 3), (4, 5)) * 0.25 - t1new[np.ix_(so,sv)] += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 4, 3, 2, 5, 1), (4, 5)) * -0.25 + t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 2, 5, 1, 3), (4, 5)) * 0.5 + t1new[np.ix_(so,sv)] += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 5, 2, 1), (4, 5)) * -0.5 + t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 2, 1, 5, 3), (4, 5)) * -0.25 + t1new[np.ix_(so,sv)] += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 2, 5, 1), (4, 5)) * 0.25 + t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 2, 5, 1, 3), (4, 5)) + t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 4, 2, 1, 5, 3), (4, 5)) * 0.25 + t1new[np.ix_(so,sv)] += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 4, 3, 2, 5, 1), (4, 5)) * -0.25 t2new = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) t2new[np.ix_(so,so,sv,sv)] += einsum(v.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oooo, (4, 1, 5, 0), (4, 5, 3, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.vvvv, (4, 2, 5, 3), (0, 1, 4, 5)) t3new = np.zeros((nocc, nocc, naocc, nvir, nvir, navir), dtype=np.float64) - t3new += einsum(f.oo, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -1.0 - t3new += einsum(f.oo, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -1.0 - t3new += einsum(f.OO, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -1.0 - t3new += einsum(f.vv, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) - t3new += einsum(f.vv, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) - t3new += einsum(f.VV, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) + t3new += einsum(f.oo, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -1.0 + t3new += einsum(f.oo, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -1.0 + t3new += einsum(f.OO, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -1.0 + t3new += einsum(f.vv, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) + t3new += einsum(f.vv, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) + t3new += einsum(f.VV, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovO, (4, 1, 5, 6), (4, 0, 6, 5, 2, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovO, (4, 0, 5, 6), (1, 4, 6, 5, 2, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (4, 5, 0, 6), (1, 4, 6, 2, 5, 3)) @@ -72,36 +70,36 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.vvvO, (4, 2, 5, 6), (1, 0, 6, 5, 4, 3)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.vOvV, (4, 5, 2, 6), (0, 1, 5, 4, 3, 6)) * -1.0 t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 6), (4, 5, 1, 3, 6, 2)) - t3new += einsum(v.ooOO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 3, 5, 6, 7), (0, 4, 2, 5, 6, 7)) * 0.5 - t3new += einsum(v.oOoO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 1, 5, 6, 7), (0, 4, 3, 5, 6, 7)) * -0.5 - t3new += einsum(v.ooOO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 3, 5, 6, 7), (4, 0, 2, 5, 6, 7)) - t3new += einsum(v.oooo, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) - t3new += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -1.0 - t3new += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -1.0 - t3new += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -1.0 - t3new += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -1.0 - t3new += einsum(v.ooVV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 2)) * -1.0 - t3new += einsum(v.ooVV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 7, 3), (4, 0, 5, 6, 7, 2)) * -1.0 - t3new += einsum(v.oVoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 1)) - t3new += einsum(v.vOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 3, 2, 6, 7), (4, 5, 1, 0, 6, 7)) - t3new += einsum(v.vvOO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 3, 1, 6, 7), (4, 5, 2, 0, 6, 7)) * -1.0 - t3new += einsum(v.vvOO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 3, 6, 1, 7), (4, 5, 2, 6, 0, 7)) * -1.0 - t3new += einsum(v.OOVV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -1.0 - t3new += einsum(v.vvvv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) - t3new += einsum(v.vvVV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) * 0.5 - t3new += einsum(v.vVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 2, 7, 1), (4, 5, 6, 0, 7, 3)) * -0.5 - t3new += einsum(v.vvVV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 1, 3), (4, 5, 6, 7, 0, 2)) - t3new += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 2, 5, 6, 7, 3), (4, 0, 5, 6, 1, 7)) * -1.0 - t3new += einsum(v.vOOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 2, 6, 7, 3), (5, 4, 1, 0, 6, 7)) * -1.0 - t3new += einsum(v.oVOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 7, 6, 1)) * -1.0 - t3new += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 1, 6, 7)) + t3new += einsum(v.ooOO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 3, 5, 6, 7), (0, 4, 2, 5, 6, 7)) * 0.5 + t3new += einsum(v.oOoO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 1, 5, 6, 7), (0, 4, 3, 5, 6, 7)) * -0.5 + t3new += einsum(v.ooOO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 3, 5, 6, 7), (4, 0, 2, 5, 6, 7)) + t3new += einsum(v.oooo, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) + t3new += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -1.0 + t3new += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -1.0 + t3new += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -1.0 + t3new += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -1.0 + t3new += einsum(v.ooVV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 2)) * -1.0 + t3new += einsum(v.ooVV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 7, 3), (4, 0, 5, 6, 7, 2)) * -1.0 + t3new += einsum(v.oVoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 1)) + t3new += einsum(v.vOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 2, 6, 7), (4, 5, 1, 0, 6, 7)) + t3new += einsum(v.vvOO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 1, 6, 7), (4, 5, 2, 0, 6, 7)) * -1.0 + t3new += einsum(v.vvOO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 6, 1, 7), (4, 5, 2, 6, 0, 7)) * -1.0 + t3new += einsum(v.OOVV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -1.0 + t3new += einsum(v.vvvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) + t3new += einsum(v.vvVV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) * 0.5 + t3new += einsum(v.vVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 2, 7, 1), (4, 5, 6, 0, 7, 3)) * -0.5 + t3new += einsum(v.vvVV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 1, 3), (4, 5, 6, 7, 0, 2)) + t3new += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 2, 5, 6, 7, 3), (4, 0, 5, 6, 1, 7)) * -1.0 + t3new += einsum(v.vOOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 2, 6, 7, 3), (5, 4, 1, 0, 6, 7)) * -1.0 + t3new += einsum(v.oVOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 7, 6, 1)) * -1.0 + t3new += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 1, 6, 7)) x0 = np.zeros((nocc, nvir), dtype=np.float64) x0 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 3, 0, 1), (2, 3)) t1new[np.ix_(so,sv)] += einsum(x0, (0, 1), (0, 1)) * 2.0 t1new[np.ix_(so,sv)] += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 1), (2, 3)) * 4.0 t1new[np.ix_(so,sv)] += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 1, 3), (2, 3)) * -2.0 x1 = np.zeros((nocc, nvir), dtype=np.float64) - x1 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 1, 3), (4, 2)) + x1 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 1, 0, 2), (4, 3)) t1new[np.ix_(so,sv)] += einsum(x1, (0, 1), (0, 1)) * -1.5 t1new[np.ix_(so,sv)] += einsum(x1, (0, 1), (0, 1)) * -0.5 del x1 @@ -118,28 +116,28 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x4 = np.zeros((nocc, nocc), dtype=np.float64) x4 += einsum(f.ov, (0, 1), t1[np.ix_(so,sv)], (2, 1), (0, 2)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x4, (0, 2), (2, 1)) * -1.0 - t3new += einsum(x4, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 2, 3, 4, 5, 6), (1, 2, 3, 4, 5, 6)) * -1.0 - t3new += einsum(x4, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 0, 3, 4, 5, 6), (2, 1, 3, 4, 5, 6)) * -1.0 + t3new += einsum(x4, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 2, 3, 4, 5, 6), (1, 2, 3, 4, 5, 6)) * -1.0 + t3new += einsum(x4, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 0, 3, 4, 5, 6), (2, 1, 3, 4, 5, 6)) * -1.0 x5 = np.zeros((nocc, nocc), dtype=np.float64) x5 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 0, 3, 1), (2, 3)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x5, (2, 0), (2, 1)) - t3new += einsum(x5, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) - t3new += einsum(x5, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) + t3new += einsum(x5, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) + t3new += einsum(x5, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) x6 = np.zeros((nocc, nocc), dtype=np.float64) x6 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 3, 0, 1), (2, 3)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x6, (2, 0), (2, 1)) * -2.0 - t3new += einsum(x6, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new += einsum(x6, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new += einsum(x6, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new += einsum(x6, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 x7 = np.zeros((nvir, nvir), dtype=np.float64) x7 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (0, 2, 3, 1), (2, 3)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x7, (1, 2), (0, 2)) * -1.0 - t3new += einsum(x7, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 0, 5, 6), (2, 3, 4, 1, 5, 6)) * -1.0 - t3new += einsum(x7, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 + t3new += einsum(x7, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 0, 5, 6), (2, 3, 4, 1, 5, 6)) * -1.0 + t3new += einsum(x7, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 x8 = np.zeros((nvir, nvir), dtype=np.float64) x8 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (0, 1, 2, 3), (2, 3)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x8, (2, 1), (0, 2)) * 2.0 - t3new += einsum(x8, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 - t3new += einsum(x8, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 + t3new += einsum(x8, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 + t3new += einsum(x8, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 x9 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) x9 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x9, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) @@ -155,7 +153,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x11 x12 = np.zeros((nocc, nocc), dtype=np.float64) x12 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 2, 1, 3), (0, 4)) - t3new += einsum(x12, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new += einsum(x12, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 x13 = np.zeros((nocc, nvir), dtype=np.float64) x13 += einsum(t1[np.ix_(so,sv)], (0, 1), x12, (2, 0), (2, 1)) t1new[np.ix_(so,sv)] += einsum(x13, (0, 1), (0, 1)) * -1.0 @@ -164,8 +162,8 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x14 = np.zeros((nocc, nocc), dtype=np.float64) x14 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 1, 2), (0, 4)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x14, (2, 0), (2, 1)) - t3new += einsum(x14, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) - t3new += einsum(x14, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) + t3new += einsum(x14, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) + t3new += einsum(x14, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) x15 = np.zeros((nocc, nvir), dtype=np.float64) x15 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 1, 0, 3), (2, 3)) t1new[np.ix_(so,sv)] += einsum(x15, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 1), (2, 3)) * -2.0 @@ -173,13 +171,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x16 = np.zeros((nocc, nocc), dtype=np.float64) x16 += einsum(t1[np.ix_(so,sv)], (0, 1), x15, (2, 1), (0, 2)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x16, (2, 0), (2, 1)) - t3new += einsum(x16, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) - t3new += einsum(x16, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) + t3new += einsum(x16, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) + t3new += einsum(x16, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) x17 = np.zeros((nocc, nocc), dtype=np.float64) x17 += einsum(t1[np.ix_(so,sv)], (0, 1), x0, (2, 1), (0, 2)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x17, (2, 0), (2, 1)) * -2.0 - t3new += einsum(x17, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new += einsum(x17, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new += einsum(x17, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new += einsum(x17, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 x18 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) x18 += einsum(f.oo, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (0, 2, 3, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x18, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 @@ -199,11 +197,11 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x21 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x21, (0, 1, 2, 3), (0, 1, 3, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(x21, (0, 1, 2, 3), (1, 0, 2, 3)) - t3new += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 2, 6, 7), (0, 4, 5, 3, 6, 7)) - t3new += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 2, 6, 7), (4, 0, 5, 6, 3, 7)) * -1.0 - t3new += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 2, 7), (4, 0, 5, 6, 3, 7)) * 2.0 + t3new += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 2, 6, 7), (0, 4, 5, 3, 6, 7)) + t3new += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 2, 6, 7), (4, 0, 5, 6, 3, 7)) * -1.0 + t3new += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 2, 7), (4, 0, 5, 6, 3, 7)) * 2.0 x22 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) - x22 += einsum(f.OV, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) + x22 += einsum(f.OV, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(x22, (0, 1, 2, 3), (0, 1, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x22, (0, 1, 2, 3), (1, 0, 3, 2)) del x22 @@ -229,32 +227,32 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new[np.ix_(so,so,sv,sv)] += einsum(x26, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x26, (4, 1, 5, 2), (4, 0, 5, 3)) x27 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) - x27 += einsum(v.ooOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 2, 5, 6, 3), (4, 0, 5, 6)) + x27 += einsum(v.ooOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 2, 5, 6, 3), (4, 0, 5, 6)) t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 del x27 x28 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) - x28 += einsum(v.ooOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 2, 5, 6, 3), (4, 0, 5, 6)) + x28 += einsum(v.ooOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 2, 5, 6, 3), (4, 0, 5, 6)) t2new[np.ix_(so,so,sv,sv)] += einsum(x28, (0, 1, 2, 3), (1, 0, 2, 3)) * -0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x28, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 del x28 x29 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) - x29 += einsum(v.oovO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 3, 2, 5, 6), (6, 4, 0, 5)) + x29 += einsum(v.oovO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 3, 2, 5, 6), (6, 4, 0, 5)) t2new[np.ix_(so,so,sV,sv)] += einsum(x29, (0, 1, 2, 3), (2, 1, 0, 3)) * 0.5 t2new[np.ix_(so,so,sv,sV)] += einsum(x29, (0, 1, 2, 3), (1, 2, 3, 0)) * 0.5 del x29 x30 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) - x30 += einsum(v.vOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 0, 6, 3), (4, 5, 6, 2)) + x30 += einsum(v.vOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 0, 6, 3), (4, 5, 6, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(x30, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x30, (0, 1, 2, 3), (1, 0, 2, 3)) * -0.5 del x30 x31 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) - x31 += einsum(v.vvOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 2, 1, 6, 3), (4, 5, 6, 0)) + x31 += einsum(v.vvOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 1, 6, 3), (4, 5, 6, 0)) t2new[np.ix_(so,so,sv,sv)] += einsum(x31, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x31, (0, 1, 2, 3), (1, 0, 2, 3)) * 0.5 del x31 x32 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) - x32 += einsum(v.vvOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 2, 6, 1, 3), (4, 5, 6, 0)) + x32 += einsum(v.vvOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 6, 1, 3), (4, 5, 6, 0)) t2new[np.ix_(so,so,sv,sv)] += einsum(x32, (0, 1, 2, 3), (0, 1, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x32, (0, 1, 2, 3), (1, 0, 3, 2)) del x32 @@ -282,7 +280,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x37 x38 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) x38 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooo, (2, 3, 4, 0), (2, 3, 4, 1)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x38, (2, 0, 3, 4), (3, 2, 4, 1)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x38, (2, 0, 3, 4), (2, 3, 1, 4)) del x38 x39 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) x39 += einsum(t1[np.ix_(so,sv)], (0, 1), x9, (2, 3, 0, 4), (2, 3, 1, 4)) @@ -295,8 +293,8 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x40 x41 = np.zeros((nocc, nocc, nocc, nocc), dtype=np.float64) x41 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - t3new += einsum(x41, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 2, 4, 5, 6, 7), (0, 1, 4, 5, 6, 7)) - t3new += einsum(x41, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) + t3new += einsum(x41, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 2, 4, 5, 6, 7), (0, 1, 4, 5, 6, 7)) + t3new += einsum(x41, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) x42 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) x42 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x41, (4, 5, 0, 1), (4, 5, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x42, (0, 1, 2, 3), (0, 1, 3, 2)) @@ -348,10 +346,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x52 x53 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) x53 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) - t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -1.0 - t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -1.0 - t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -1.0 - t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -1.0 + t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -1.0 + t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -1.0 + t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -1.0 + t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -1.0 x54 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) x54 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x53, (4, 1, 5, 3), (4, 0, 2, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(x54, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 @@ -395,26 +393,26 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x61 x62 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) x62 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x62, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 0, 5, 6, 1), (2, 4, 6, 5)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x62, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 0, 5, 6, 1), (2, 4, 6, 5)) * -1.0 x63 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) - x63 += einsum(x62, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) + x63 += einsum(x62, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) t2new[np.ix_(so,so,sv,sv)] += einsum(x63, (0, 1, 2, 3), (0, 1, 2, 3)) * -0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x63, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 del x63 x64 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) x64 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvO, (2, 3, 1, 4), (4, 3, 0, 2)) x65 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) - x65 += einsum(x64, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) + x65 += einsum(x64, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) del x64 t2new[np.ix_(so,so,sv,sv)] += einsum(x65, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x65, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 del x65 x66 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) x66 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x66, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 0, 5, 6, 1), (4, 2, 5, 6)) * -1.0 + t2new[np.ix_(so,so,sv,sv)] += einsum(x66, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 0, 5, 6, 1), (4, 2, 5, 6)) * -1.0 del x66 x67 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) - x67 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 2, 1, 6, 3), (4, 5, 0, 6)) + x67 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 1, 6, 3), (4, 5, 0, 6)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x67, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * 0.5 x68 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) x68 += einsum(t1[np.ix_(so,sv)], (0, 1), x67, (2, 3, 0, 4), (2, 3, 1, 4)) @@ -422,7 +420,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new[np.ix_(so,so,sv,sv)] += einsum(x68, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 del x68 x69 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) - x69 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 3, 2, 6, 1), (4, 5, 0, 6)) + x69 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 2, 6, 1), (4, 5, 0, 6)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x69, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * -0.5 x70 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) x70 += einsum(t1[np.ix_(so,sv)], (0, 1), x69, (2, 3, 0, 4), (2, 3, 1, 4)) @@ -430,7 +428,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new[np.ix_(so,so,sv,sv)] += einsum(x70, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 del x70 x71 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) - x71 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 2, 6, 1, 3), (4, 5, 0, 6)) + x71 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 6, 1, 3), (4, 5, 0, 6)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x71, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) x72 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) x72 += einsum(t1[np.ix_(so,sv)], (0, 1), x71, (2, 3, 0, 4), (2, 3, 1, 4)) @@ -440,7 +438,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x73 = np.zeros((naocc, navir), dtype=np.float64) x73 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOV, (0, 1, 2, 3), (2, 3)) x74 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) - x74 += einsum(x73, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) + x74 += einsum(x73, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) del x73 t2new[np.ix_(so,so,sv,sv)] += einsum(x74, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x74, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 @@ -448,7 +446,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x75 = np.zeros((naocc, navir), dtype=np.float64) x75 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvO, (0, 2, 1, 3), (3, 2)) x76 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) - x76 += einsum(x75, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) + x76 += einsum(x75, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) del x75 t2new[np.ix_(so,so,sv,sv)] += einsum(x76, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x76, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 @@ -505,7 +503,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x87 = np.zeros((nocc, nocc, nocc, nocc), dtype=np.float64) x87 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 2, 5, 3), (0, 1, 4, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x87, (4, 5, 0, 1), (5, 4, 3, 2)) - t3new += einsum(x87, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 2, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) + t3new += einsum(x87, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 7), (0, 1, 4, 5, 6, 7)) x88 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) x88 += einsum(t1[np.ix_(so,sv)], (0, 1), x41, (2, 3, 4, 0), (2, 4, 3, 1)) x89 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) @@ -526,7 +524,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x92 = np.zeros((nocc, nocc, nocc, nocc), dtype=np.float64) x92 += einsum(t1[np.ix_(so,sv)], (0, 1), x9, (2, 3, 4, 1), (2, 0, 4, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x92, (4, 5, 0, 1), (5, 4, 3, 2)) - t3new += einsum(x92, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 2, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) + t3new += einsum(x92, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 2, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) x93 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) x93 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 1, 5, 3), (4, 0, 5, 2)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x93, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * 2.0 @@ -572,8 +570,8 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new[np.ix_(so,so,sv,sv)] += einsum(x102, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 del x102 x103 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) - x103 += einsum(t1[np.ix_(so,sv)], (0, 1), x87, (2, 3, 0, 4), (3, 2, 4, 1)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x103, (2, 3, 0, 4), (3, 2, 4, 1)) + x103 += einsum(t1[np.ix_(so,sv)], (0, 1), x87, (2, 3, 4, 0), (2, 3, 4, 1)) + t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x103, (2, 3, 0, 4), (2, 3, 1, 4)) del x103 x104 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) x104 += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 0, 4)) @@ -630,43 +628,43 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x115, (4, 5, 6, 1, 3, 7), (6, 0, 4, 7, 2, 5)) * -2.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x115, (4, 5, 6, 1, 2, 7), (6, 0, 4, 7, 3, 5)) x116 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x116 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) + x116 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) t3new += einsum(x116, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x116, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * 2.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x116, (4, 5, 6, 1, 7, 2), (0, 6, 4, 3, 7, 5)) * -1.0 del x116 x117 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x117 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) + x117 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) t3new += einsum(x117, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x117, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 4.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x117, (4, 5, 6, 1, 7, 2), (6, 0, 4, 7, 3, 5)) * -2.0 del x117 x118 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x118 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) + x118 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) t3new += einsum(x118, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x118, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -2.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x118, (4, 5, 6, 1, 7, 2), (6, 0, 4, 7, 3, 5)) del x118 x119 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x119 += einsum(v.OVOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 2, 6, 7, 3), (0, 1, 4, 5, 6, 7)) + x119 += einsum(v.OVOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 6, 7, 3), (0, 1, 4, 5, 6, 7)) t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x119 x120 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x120 += einsum(f.ov, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 1, 5, 6), (4, 6, 0, 2, 3, 5)) + x120 += einsum(f.ov, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (4, 6, 0, 2, 3, 5)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x120, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x120 x121 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x121 += einsum(f.ov, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) + x121 += einsum(f.ov, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x121, (2, 3, 0, 4, 5, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x121 x122 = np.zeros((navir, navir), dtype=np.float64) x122 += einsum(f.oV, (0, 1), t1[np.ix_(so,sV)], (0, 2), (1, 2)) - t3new += einsum(x122, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -1.0 + t3new += einsum(x122, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -1.0 del x122 x123 = np.zeros((naocc, naocc), dtype=np.float64) x123 += einsum(f.vO, (0, 1), t1[np.ix_(sO,sv)], (2, 0), (1, 2)) - t3new += einsum(x123, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -1.0 + t3new += einsum(x123, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -1.0 del x123 x124 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) x124 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sv,sV)], (2, 3, 1, 4), (3, 4, 0, 2)) @@ -941,190 +939,190 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x188, (2, 3, 4, 1, 5, 6), (4, 0, 2, 6, 5, 3)) * -1.0 del x188 x189 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x189 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) + x189 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x189, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x189 x190 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x190 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) + x190 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x190, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x190 x191 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x191 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) + x191 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x191, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) del x191 x192 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x192 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) + x192 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x192, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) del x192 x193 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x193 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) + x193 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x193, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) del x193 x194 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x194 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) + x194 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x194, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x194 x195 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x195 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) + x195 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x195, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x195 x196 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) x196 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOO, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new += einsum(x196, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 - t3new += einsum(x196, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) + t3new += einsum(x196, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 + t3new += einsum(x196, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) del x196 x197 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) x197 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvO, (2, 3, 1, 4), (3, 4, 0, 2)) - t3new += einsum(x197, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 + t3new += einsum(x197, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 del x197 x198 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) x198 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovVV, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new += einsum(x198, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 - t3new += einsum(x198, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -1.0 + t3new += einsum(x198, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 + t3new += einsum(x198, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -1.0 del x198 x199 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) x199 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvV, (2, 3, 1, 4), (3, 4, 0, 2)) - t3new += einsum(x199, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 0), (2, 4, 5, 6, 7, 1)) + t3new += einsum(x199, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 0), (2, 4, 5, 6, 7, 1)) del x199 x200 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x200 += einsum(v.ovOO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 3, 1, 6, 7), (2, 7, 4, 5, 0, 6)) + x200 += einsum(v.ovOO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 1, 6, 7), (2, 7, 4, 5, 0, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x200, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) del x200 x201 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x201 += einsum(v.oOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 3, 2, 6, 7), (1, 7, 4, 5, 0, 6)) + x201 += einsum(v.oOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 2, 6, 7), (1, 7, 4, 5, 0, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x201, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x201 x202 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x202 += einsum(v.ovOO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 0, 6)) + x202 += einsum(v.ovOO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 0, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x202, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x202 x203 = np.zeros((naocc, naocc), dtype=np.float64) x203 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOO, (0, 1, 2, 3), (2, 3)) - t3new += einsum(x203, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new += einsum(x203, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 del x203 x204 = np.zeros((naocc, naocc), dtype=np.float64) x204 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvO, (0, 2, 1, 3), (2, 3)) - t3new += einsum(x204, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) + t3new += einsum(x204, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) del x204 x205 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x205 += einsum(v.ovvv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) + x205 += einsum(v.ovvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x205, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x205 x206 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x206 += einsum(v.ovVV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 1, 7, 3), (6, 2, 4, 5, 0, 7)) + x206 += einsum(v.ovVV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 1, 7, 3), (6, 2, 4, 5, 0, 7)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x206, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -0.5 del x206 x207 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x207 += einsum(v.oVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 2, 7, 1), (6, 3, 4, 5, 0, 7)) + x207 += einsum(v.oVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 2, 7, 1), (6, 3, 4, 5, 0, 7)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x207, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 0.5 del x207 x208 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x208 += einsum(v.ovvv, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) + x208 += einsum(v.ovvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x208, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x208 x209 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x209 += einsum(v.ovVV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 0, 7)) + x209 += einsum(v.ovVV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 0, 7)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x209, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x209 x210 = np.zeros((navir, navir), dtype=np.float64) x210 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovVV, (0, 1, 2, 3), (2, 3)) - t3new += einsum(x210, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + t3new += einsum(x210, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 del x210 x211 = np.zeros((navir, navir), dtype=np.float64) x211 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvV, (0, 2, 1, 3), (2, 3)) - t3new += einsum(x211, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -1.0 + t3new += einsum(x211, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -1.0 del x211 x212 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) x212 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooV, (2, 0, 3, 4), (1, 4, 3, 2)) - t3new += einsum(x212, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 6, 7, 1), (3, 4, 5, 6, 7, 0)) * -1.0 + t3new += einsum(x212, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 6, 7, 1), (3, 4, 5, 6, 7, 0)) * -1.0 del x212 x213 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) x213 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooV, (2, 3, 0, 4), (1, 4, 2, 3)) - t3new += einsum(x213, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) - t3new += einsum(x213, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) + t3new += einsum(x213, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) + t3new += einsum(x213, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) del x213 x214 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) x214 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oVOO, (0, 2, 3, 4), (3, 4, 1, 2)) - t3new += einsum(x214, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) + t3new += einsum(x214, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) del x214 x215 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) x215 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oOOV, (0, 2, 3, 4), (3, 2, 1, 4)) x216 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x216 += einsum(x215, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 0, 6, 7, 3), (1, 2, 4, 5, 6, 7)) + x216 += einsum(x215, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 3), (1, 2, 4, 5, 6, 7)) del x215 t3new += einsum(x216, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x216, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x216 x217 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) x217 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oVvv, (0, 2, 3, 4), (1, 2, 3, 4)) - t3new += einsum(x217, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * -0.5 - t3new += einsum(x217, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -1.0 + t3new += einsum(x217, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * -0.5 + t3new += einsum(x217, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -1.0 del x217 x218 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) x218 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvV, (0, 2, 3, 4), (1, 4, 3, 2)) - t3new += einsum(x218, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 0.5 + t3new += einsum(x218, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 0.5 del x218 x219 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) x219 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oovO, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new += einsum(x219, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 - t3new += einsum(x219, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) + t3new += einsum(x219, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 + t3new += einsum(x219, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) del x219 x220 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) x220 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovoO, (2, 1, 3, 4), (0, 4, 3, 2)) - t3new += einsum(x220, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 + t3new += einsum(x220, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 del x220 x221 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) x221 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvO, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new += einsum(x221, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -1.0 - t3new += einsum(x221, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -1.0 + t3new += einsum(x221, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -1.0 + t3new += einsum(x221, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -1.0 del x221 x222 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) x222 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvO, (2, 1, 3, 4), (0, 4, 3, 2)) - t3new += einsum(x222, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 2, 6, 7), (4, 5, 0, 3, 6, 7)) + t3new += einsum(x222, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 2, 6, 7), (4, 5, 0, 3, 6, 7)) del x222 x223 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) x223 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vOVV, (1, 2, 3, 4), (0, 2, 3, 4)) - t3new += einsum(x223, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -1.0 + t3new += einsum(x223, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -1.0 del x223 x224 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) x224 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vVOV, (1, 2, 3, 4), (0, 3, 4, 2)) x225 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x225 += einsum(x224, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 2), (0, 3, 4, 5, 6, 7)) + x225 += einsum(x224, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 2), (0, 3, 4, 5, 6, 7)) del x224 t3new += einsum(x225, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x225, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x225 x226 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) x226 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooV, (2, 0, 3, 4), (4, 3, 2, 1)) - t3new += einsum(x226, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 1, 5, 6, 7, 0), (4, 2, 5, 6, 3, 7)) + t3new += einsum(x226, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 1, 5, 6, 7, 0), (4, 2, 5, 6, 3, 7)) del x226 x227 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) x227 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvv, (2, 3, 4, 1), (3, 0, 2, 4)) - t3new += einsum(x227, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) * -1.0 + t3new += einsum(x227, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) * -1.0 del x227 x228 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) x228 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOOV, (0, 2, 3, 4), (3, 2, 4, 1)) - t3new += einsum(x228, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) + t3new += einsum(x228, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) del x228 x229 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) x229 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvOV, (2, 1, 3, 4), (0, 3, 4, 2)) - t3new += einsum(x229, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -1.0 + t3new += einsum(x229, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -1.0 del x229 x230 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) x230 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vVOV, (1, 2, 3, 4), (3, 4, 2, 0)) - t3new += einsum(x230, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -1.0 + t3new += einsum(x230, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -1.0 del x230 x231 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) x231 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ooOV, (2, 0, 3, 4), (3, 1, 4, 2)) - t3new += einsum(x231, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) + t3new += einsum(x231, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) del x231 x232 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) x232 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooOV, (2, 0, 3, 4), (3, 4, 2, 1)) - t3new += einsum(x232, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 + t3new += einsum(x232, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 del x232 x233 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) x233 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvOV, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new += einsum(x233, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) + t3new += einsum(x233, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) del x233 x234 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) x234 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoO, (1, 3, 4, 5), (5, 0, 4, 2)) @@ -1394,12 +1392,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x294 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x294 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) x295 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x295 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x294, (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) + x295 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x294, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 2, 7)) t3new += einsum(x295, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x295, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x295 x296 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x296 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x294, (4, 5, 6, 1, 2, 7), (4, 5, 6, 0, 3, 7)) + x296 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x294, (4, 5, 6, 1, 7, 2), (4, 5, 6, 0, 3, 7)) t3new += einsum(x296, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 t3new += einsum(x296, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x296 @@ -1512,24 +1510,24 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x321 x322 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x322 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovvv, (4, 3, 5, 6), (1, 2, 0, 4, 5, 6)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x322, (4, 5, 6, 1, 3, 7), (6, 0, 4, 7, 2, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x322, (4, 5, 6, 1, 2, 7), (6, 0, 4, 3, 7, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x322, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) + t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x322, (4, 5, 6, 1, 7, 2), (6, 0, 4, 3, 7, 5)) x323 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) - x323 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 0, 4, 5, 1, 6), (4, 6, 5, 3)) + x323 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 2, 4, 5, 3, 6), (4, 6, 5, 1)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x323, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -1.0 del x323 x324 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) - x324 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 0, 4, 3, 5, 6), (4, 6, 5, 1)) + x324 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 2, 4, 1, 5, 6), (4, 6, 5, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x324, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) * -1.0 del x324 x325 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x325 += einsum(x12, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 2, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + x325 += einsum(x12, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x12 t3new += einsum(x325, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x325, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x325 x326 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) - x326 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 3, 1, 6), (5, 6, 4, 0)) + x326 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 3, 1, 6), (5, 6, 4, 0)) x327 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x327 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x326, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x326 @@ -1537,225 +1535,225 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x327, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x327 x328 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x328 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) + x328 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x328, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x328, (4, 5, 6, 1, 7, 2), (0, 6, 4, 3, 7, 5)) del x328 x329 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x329 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) + x329 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x329, (4, 5, 6, 1, 7, 2), (0, 6, 4, 7, 3, 5)) del x329 x330 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) - x330 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 1, 3, 6), (5, 6, 4, 0)) + x330 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 1, 3, 6), (5, 6, 4, 0)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x330, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 del x330 x331 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) - x331 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 1, 3, 6), (5, 6, 4, 0)) + x331 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 1, 3, 6), (5, 6, 4, 0)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x331, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) del x331 x332 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x332 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) + x332 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x332, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -2.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x332, (4, 5, 6, 1, 7, 2), (6, 0, 4, 7, 3, 5)) del x332 x333 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x333 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) + x333 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x333, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x333, (4, 5, 6, 1, 7, 2), (6, 0, 4, 3, 7, 5)) del x333 x334 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) - x334 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) + x334 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x334, (4, 5, 6, 7, 0, 1), (6, 7, 4, 2, 3, 5)) x335 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x335 += einsum(x85, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) + x335 += einsum(x85, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) t3new += einsum(x335, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 t3new += einsum(x335, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 del x335 x336 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x336 += einsum(x85, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x336 += einsum(x85, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) del x85 t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 del x336 x337 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x337 += einsum(x83, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) + x337 += einsum(x83, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) t3new += einsum(x337, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 t3new += einsum(x337, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.5 del x337 x338 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x338 += einsum(x83, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x338 += einsum(x83, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) del x83 t3new += einsum(x338, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.5 t3new += einsum(x338, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 del x338 x339 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) - x339 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 1, 6, 3), (5, 4, 0, 6)) + x339 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 1, 6, 3), (5, 4, 0, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x339, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 0.5 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x339, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -0.5 del x339 x340 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) - x340 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 4, 5, 1, 6, 3), (5, 4, 2, 6)) + x340 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 4, 5, 1, 6, 3), (5, 4, 2, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x340, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -0.5 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x340, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * 0.5 del x340 x341 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) x341 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 2, 4, 5), (3, 5, 0, 4)) - t3new += einsum(x341, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 + t3new += einsum(x341, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 del x341 x342 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) x342 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (4, 2, 1, 5), (3, 5, 0, 4)) - t3new += einsum(x342, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) - t3new += einsum(x342, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) + t3new += einsum(x342, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) + t3new += einsum(x342, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) del x342 x343 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) - x343 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 0, 4, 5, 6, 3), (4, 5, 6, 1)) + x343 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 0, 4, 5, 6, 3), (4, 5, 6, 1)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x343, (4, 5, 6, 2), (1, 0, 4, 5, 6, 3)) * -1.0 del x343 x344 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) - x344 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 6, 1, 3), (5, 4, 0, 6)) + x344 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 1, 3), (5, 4, 0, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x344, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) del x344 x345 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) - x345 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 5, 6, 1, 3), (5, 4, 2, 6)) + x345 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 5, 6, 1, 3), (5, 4, 2, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x345, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 del x345 x346 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) - x346 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 1, 6, 3), (5, 4, 0, 6)) + x346 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 1, 6, 3), (5, 4, 0, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x346, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -0.5 del x346 x347 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) - x347 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 5, 1, 6, 3), (5, 4, 2, 6)) + x347 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 5, 1, 6, 3), (5, 4, 2, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x347, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 0.5 del x347 x348 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) x348 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 2, 4, 5), (3, 5, 1, 4)) - t3new += einsum(x348, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 + t3new += einsum(x348, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 del x348 x349 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) - x349 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 6, 1, 3), (5, 4, 0, 6)) + x349 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 6, 1, 3), (5, 4, 0, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x349, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x349 x350 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) x350 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (4, 2, 0, 5), (3, 5, 1, 4)) - t3new += einsum(x350, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 + t3new += einsum(x350, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 del x350 x351 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) x351 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 4, 1, 5), (3, 5, 2, 4)) - t3new += einsum(x351, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 0.25 + t3new += einsum(x351, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 0.25 del x351 x352 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) x352 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 4, 0, 5), (3, 5, 2, 4)) - t3new += einsum(x352, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * -0.25 + t3new += einsum(x352, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * -0.25 del x352 x353 = np.zeros((navir, navir), dtype=np.float64) x353 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 2, 1, 4), (3, 4)) - t3new += einsum(x353, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -0.5 + t3new += einsum(x353, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -0.5 del x353 x354 = np.zeros((navir, navir), dtype=np.float64) x354 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 2, 0, 4), (3, 4)) - t3new += einsum(x354, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 0.5 + t3new += einsum(x354, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 0.5 del x354 x355 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) x355 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 4, 0, 5), (3, 5, 2, 4)) - t3new += einsum(x355, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * -0.25 + t3new += einsum(x355, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * -0.25 del x355 x356 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) x356 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 4, 1, 5), (3, 5, 2, 4)) - t3new += einsum(x356, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 0.25 - t3new += einsum(x356, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) + t3new += einsum(x356, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 0.25 + t3new += einsum(x356, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) del x356 x357 = np.zeros((navir, navir), dtype=np.float64) x357 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 2, 0, 4), (3, 4)) - t3new += einsum(x357, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 0.5 + t3new += einsum(x357, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 0.5 del x357 x358 = np.zeros((navir, navir), dtype=np.float64) x358 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 2, 1, 4), (3, 4)) - t3new += einsum(x358, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -1.5 + t3new += einsum(x358, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -1.5 del x358 x359 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) - x359 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 4, 3, 2, 5, 6), (6, 4, 5, 1)) + x359 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 4, 3, 2, 5, 6), (6, 4, 5, 1)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x359, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 0.5 t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x359, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -0.5 del x359 x360 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) x360 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (4, 2, 3, 5), (1, 5, 0, 4)) - t3new += einsum(x360, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 + t3new += einsum(x360, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 del x360 x361 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) - x361 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 4, 3, 1, 5, 6), (6, 4, 5, 2)) + x361 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 4, 3, 1, 5, 6), (6, 4, 5, 2)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x361, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -0.5 t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x361, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * 0.5 del x361 x362 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) x362 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (4, 3, 2, 5), (1, 5, 0, 4)) - t3new += einsum(x362, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 + t3new += einsum(x362, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 del x362 x363 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) - x363 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 3, 5, 2, 6), (6, 4, 5, 1)) + x363 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 5, 2, 6), (6, 4, 5, 1)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x363, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 0.5 del x363 x364 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) - x364 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 3, 2, 5, 6), (6, 4, 5, 1)) + x364 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 2, 5, 6), (6, 4, 5, 1)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x364, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -0.5 del x364 x365 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) - x365 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) + x365 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x365, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 del x365 x366 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) x366 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (4, 2, 3, 5), (1, 5, 0, 4)) - t3new += einsum(x366, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) + t3new += einsum(x366, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) del x366 x367 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) - x367 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) + x367 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x367, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -0.5 del x367 x368 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) - x368 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 3, 1, 5, 6), (6, 4, 5, 2)) + x368 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 1, 5, 6), (6, 4, 5, 2)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x368, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 0.5 del x368 x369 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) - x369 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 0, 3, 2, 5, 6), (6, 4, 5, 1)) + x369 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 2, 5, 6), (6, 4, 5, 1)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x369, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 del x369 x370 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) x370 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 3, 4, 5), (1, 5, 2, 4)) - t3new += einsum(x370, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -1.0 + t3new += einsum(x370, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -1.0 del x370 x371 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) x371 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 2, 4, 5), (1, 5, 3, 4)) - t3new += einsum(x371, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 2.0 + t3new += einsum(x371, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 2.0 del x371 x372 = np.zeros((naocc, naocc), dtype=np.float64) x372 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 2, 3, 4), (1, 4)) x373 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x373 += einsum(x372, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) + x373 += einsum(x372, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) del x372 t3new += einsum(x373, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x373, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x373 x374 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) x374 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 4, 3, 5), (1, 5, 2, 4)) - t3new += einsum(x374, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) - t3new += einsum(x374, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) + t3new += einsum(x374, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) + t3new += einsum(x374, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) del x374 x375 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) - x375 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 3, 2, 1, 6), (6, 4, 5, 0)) + x375 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 2, 1, 6), (6, 4, 5, 0)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x375, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * -1.0 del x375 x376 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) x376 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 4, 2, 5), (1, 5, 3, 4)) - t3new += einsum(x376, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -1.0 + t3new += einsum(x376, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -1.0 del x376 x377 = np.zeros((naocc, naocc), dtype=np.float64) x377 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 3, 2, 4), (1, 4)) - t3new += einsum(x377, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) + t3new += einsum(x377, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) del x377 x378 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) x378 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) - t3new += einsum(t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x378, (6, 2, 7, 5, 8, 1), (8, 0, 6, 4, 3, 7)) * -1.0 + t3new += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x378, (6, 2, 7, 5, 8, 1), (8, 0, 6, 4, 3, 7)) * -1.0 x379 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x379 += einsum(t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x378, (6, 2, 7, 5, 8, 0), (6, 7, 8, 1, 3, 4)) + x379 += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x378, (6, 2, 7, 5, 8, 0), (6, 7, 8, 1, 3, 4)) del x378 t3new += einsum(x379, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 t3new += einsum(x379, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 @@ -1763,14 +1761,14 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x380 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) x380 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oVvO, (4, 5, 2, 6), (1, 6, 3, 5, 0, 4)) x381 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x381 += einsum(t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x380, (6, 2, 7, 5, 8, 0), (6, 7, 8, 1, 3, 4)) + x381 += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x380, (6, 2, 7, 5, 8, 0), (6, 7, 8, 1, 3, 4)) del x380 t3new += einsum(x381, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 t3new += einsum(x381, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 del x381 x382 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) x382 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) - t3new += einsum(t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x382, (6, 2, 7, 5, 8, 1), (0, 8, 6, 3, 4, 7)) * -1.0 + t3new += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x382, (6, 2, 7, 5, 8, 1), (0, 8, 6, 3, 4, 7)) * -1.0 del x382 x383 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x383 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x67, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) @@ -1793,7 +1791,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x386 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) x386 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) x387 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x387 += einsum(x386, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) + x387 += einsum(x386, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) del x386 t3new += einsum(x387, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new += einsum(x387, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 @@ -1801,123 +1799,123 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x388 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) x388 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oVvO, (0, 4, 2, 5), (1, 5, 3, 4)) x389 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x389 += einsum(x388, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) + x389 += einsum(x388, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) del x388 t3new += einsum(x389, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x389, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x389 x390 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) x390 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoV, (1, 3, 4, 5), (5, 0, 4, 2)) - t3new += einsum(x390, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) * -2.0 + t3new += einsum(x390, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) * -2.0 del x390 x391 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) - x391 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (2, 4, 5, 1, 6, 3), (5, 6, 4, 0)) + x391 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (2, 4, 5, 1, 6, 3), (5, 6, 4, 0)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x391, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -0.5 del x391 x392 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) - x392 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (0, 4, 5, 1, 6, 3), (5, 6, 4, 2)) + x392 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 4, 5, 1, 6, 3), (5, 6, 4, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x392, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 0.5 del x392 x393 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) x393 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoV, (1, 2, 4, 5), (5, 0, 4, 3)) - t3new += einsum(x393, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) + t3new += einsum(x393, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) del x393 x394 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) x394 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoV, (4, 3, 1, 5), (5, 0, 4, 2)) - t3new += einsum(x394, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) + t3new += einsum(x394, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) del x394 x395 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=np.float64) x395 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovOV, (4, 3, 5, 6), (1, 5, 6, 0, 4, 2)) x396 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x396 += einsum(t3[np.ix_(so,so,sO,sv,sV,sV)], (0, 1, 2, 3, 4, 5), x395, (6, 2, 5, 7, 1, 8), (6, 4, 7, 0, 8, 3)) + x396 += einsum(t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x395, (6, 2, 5, 7, 1, 8), (6, 4, 7, 0, 8, 3)) del x395 t3new += einsum(x396, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x396, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 del x396 x397 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=np.float64) x397 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovOV, (4, 2, 5, 6), (1, 5, 6, 0, 4, 3)) - t3new += einsum(t3[np.ix_(so,so,sO,sv,sV,sV)], (0, 1, 2, 3, 4, 5), x397, (6, 2, 5, 7, 1, 8), (7, 0, 6, 8, 3, 4)) - t3new += einsum(t3[np.ix_(so,so,sO,sv,sV,sV)], (0, 1, 2, 3, 4, 5), x397, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * 0.5 + t3new += einsum(t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x397, (6, 2, 5, 7, 1, 8), (7, 0, 6, 8, 3, 4)) + t3new += einsum(t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x397, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * 0.5 del x397 x398 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=np.float64) x398 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 3, 6), (1, 6, 5, 0, 4, 2)) - t3new += einsum(t3[np.ix_(so,so,sO,sv,sV,sV)], (0, 1, 2, 3, 4, 5), x398, (6, 2, 5, 7, 1, 8), (0, 7, 6, 3, 8, 4)) * 0.5 + t3new += einsum(t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x398, (6, 2, 5, 7, 1, 8), (0, 7, 6, 3, 8, 4)) * 0.5 del x398 x399 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=np.float64) x399 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 2, 6), (1, 6, 5, 0, 4, 3)) - t3new += einsum(t3[np.ix_(so,so,sO,sv,sV,sV)], (0, 1, 2, 3, 4, 5), x399, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * -0.5 + t3new += einsum(t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x399, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * -0.5 del x399 x400 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) x400 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovOV, (0, 3, 4, 5), (1, 4, 5, 2)) - t3new += einsum(x400, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) + t3new += einsum(x400, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) del x400 x401 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) - x401 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 2, 1, 6, 3), (6, 4, 5, 0)) + x401 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 2, 1, 6, 3), (6, 4, 5, 0)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x401, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * 0.5 del x401 x402 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) - x402 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 3, 2, 6, 1), (6, 4, 5, 0)) + x402 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 3, 2, 6, 1), (6, 4, 5, 0)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x402, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -0.5 del x402 x403 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) x403 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovOV, (0, 2, 4, 5), (1, 4, 5, 3)) - t3new += einsum(x403, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -2.0 + t3new += einsum(x403, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -2.0 del x403 x404 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) x404 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvO, (0, 4, 2, 5), (1, 5, 4, 3)) - t3new += einsum(x404, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) + t3new += einsum(x404, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) del x404 x405 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) - x405 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (0, 4, 3, 5, 2, 6), (4, 6, 5, 1)) + x405 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 4, 3, 5, 2, 6), (4, 6, 5, 1)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x405, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 0.5 del x405 x406 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) - x406 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (0, 4, 3, 2, 5, 6), (4, 6, 5, 1)) + x406 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 4, 3, 2, 5, 6), (4, 6, 5, 1)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x406, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -0.5 del x406 x407 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) - x407 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (0, 4, 3, 5, 1, 6), (4, 6, 5, 2)) + x407 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 4, 3, 5, 1, 6), (4, 6, 5, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x407, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -0.5 del x407 x408 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) - x408 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (0, 4, 3, 1, 5, 6), (4, 6, 5, 2)) + x408 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 4, 3, 1, 5, 6), (4, 6, 5, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x408, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 0.5 del x408 x409 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) - x409 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 2, 6, 1, 3), (5, 4, 0, 6)) + x409 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 2, 6, 1, 3), (5, 4, 0, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x409, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x409, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) del x409 x410 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) x410 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovOV, (1, 2, 4, 5), (4, 3, 5, 0)) - t3new += einsum(x410, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) + t3new += einsum(x410, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) del x410 x411 = np.zeros((naocc, navir, navir, nocc, nocc, nocc), dtype=np.float64) x411 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovOV, (4, 2, 5, 6), (5, 3, 6, 1, 0, 4)) - t3new += einsum(t3[np.ix_(so,sO,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x411, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) * 0.5 + t3new += einsum(t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x411, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) * 0.5 del x411 x412 = np.zeros((naocc, navir, navir, nocc, nocc, nocc), dtype=np.float64) x412 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oVvO, (4, 5, 2, 6), (6, 3, 5, 1, 0, 4)) - t3new += einsum(t3[np.ix_(so,sO,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x412, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) * -0.5 + t3new += einsum(t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x412, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) * -0.5 del x412 x413 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) - x413 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) + x413 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x413, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * 0.5 del x413 x414 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) - x414 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 3, 2, 6, 1), (5, 4, 0, 6)) + x414 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 3, 2, 6, 1), (5, 4, 0, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x414, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -0.5 del x414 x415 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) x415 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovOV, (0, 2, 4, 5), (4, 3, 5, 1)) - t3new += einsum(x415, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -2.0 + t3new += einsum(x415, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -2.0 del x415 x416 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) x416 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oVvO, (0, 4, 2, 5), (5, 3, 4, 1)) - t3new += einsum(x416, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) + t3new += einsum(x416, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) del x416 x417 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x417 += einsum(t3[np.ix_(so,sO,sO,sv,sV,sV)], (0, 1, 2, 3, 4, 5), x138, (2, 5, 6, 7, 0, 8), (1, 4, 6, 7, 8, 3)) + x417 += einsum(t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x138, (2, 5, 6, 7, 0, 8), (1, 4, 6, 7, 8, 3)) del x138 t3new += einsum(x417, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 t3new += einsum(x417, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 @@ -1925,51 +1923,51 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x418 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) x418 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 3, 6), (6, 5, 0, 1, 4, 2)) x419 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x419 += einsum(t3[np.ix_(so,sO,sO,sv,sV,sV)], (0, 1, 2, 3, 4, 5), x418, (2, 5, 6, 7, 0, 8), (1, 4, 6, 7, 8, 3)) + x419 += einsum(t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x418, (2, 5, 6, 7, 0, 8), (1, 4, 6, 7, 8, 3)) del x418 t3new += einsum(x419, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 t3new += einsum(x419, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 del x419 x420 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) - x420 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 2, 1, 6, 3), (5, 6, 4, 0)) + x420 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 2, 1, 6, 3), (5, 6, 4, 0)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x420, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -0.5 del x420 x421 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) - x421 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 3, 2, 6, 1), (5, 6, 4, 0)) + x421 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 3, 2, 6, 1), (5, 6, 4, 0)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x421, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * 0.5 del x421 x422 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) x422 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovOV, (1, 3, 4, 5), (4, 5, 0, 2)) - t3new += einsum(x422, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 + t3new += einsum(x422, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 del x422 x423 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) x423 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovOV, (1, 2, 4, 5), (4, 5, 0, 3)) - t3new += einsum(x423, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 + t3new += einsum(x423, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 del x423 x424 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) x424 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oVvO, (1, 4, 3, 5), (5, 4, 0, 2)) - t3new += einsum(x424, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 + t3new += einsum(x424, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 del x424 x425 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) x425 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovOV, (4, 3, 5, 6), (1, 5, 2, 6, 0, 4)) - t3new += einsum(t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x425, (6, 2, 7, 5, 8, 1), (8, 0, 6, 4, 3, 7)) - t3new += einsum(t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x425, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * 0.5 + t3new += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x425, (6, 2, 7, 5, 8, 1), (8, 0, 6, 4, 3, 7)) + t3new += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x425, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * 0.5 del x425 x426 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) x426 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 3, 6), (1, 6, 2, 5, 0, 4)) - t3new += einsum(t3[np.ix_(so,so,sO,sv,sv,sV)], (0, 1, 2, 3, 4, 5), x426, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * -0.5 + t3new += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x426, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * -0.5 del x426 x427 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) x427 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovOV, (0, 3, 4, 5), (1, 4, 2, 5)) x428 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x428 += einsum(x427, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) + x428 += einsum(x427, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) del x427 t3new += einsum(x428, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x428, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x428 x429 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) x429 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.oVvO, (0, 4, 3, 5), (1, 5, 2, 4)) - t3new += einsum(x429, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) + t3new += einsum(x429, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) del x429 x430 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) x430 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovoO, (2, 1, 3, 4), (4, 0, 3, 2)) @@ -2279,31 +2277,31 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x505, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) del x505 x506 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x506 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (1, 4, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) + x506 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x506, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x506 x507 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x507 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 4, 1, 6)) + x507 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 4, 1, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x507, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) del x507 x508 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x508 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 4, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) + x508 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x508, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x508 x509 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x509 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 3, 6, 7), (5, 7, 0, 4, 1, 6)) + x509 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 3, 6, 7), (5, 7, 0, 4, 1, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x509, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x509 x510 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x510 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) + x510 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x510, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) del x510 x511 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x511 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) + x511 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x511, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x511 x512 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x512 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) + x512 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x512, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) del x512 x513 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) @@ -2312,19 +2310,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x513, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) del x513 x514 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x514 += einsum(x0, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) + x514 += einsum(x0, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x514, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x514 x515 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x515 += einsum(x15, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) + x515 += einsum(x15, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x515, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) del x515 x516 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x516 += einsum(x0, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x516 += einsum(x0, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x516, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x516 x517 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x517 += einsum(x15, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x517 += einsum(x15, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x517, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x517 x518 = np.zeros((navir, navir, nocc, nvir), dtype=np.float64) @@ -2332,31 +2330,31 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x519 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) x519 += einsum(t1[np.ix_(so,sv)], (0, 1), x518, (2, 3, 4, 1), (2, 3, 0, 4)) del x518 - t3new += einsum(x519, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 + t3new += einsum(x519, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 del x519 x520 = np.zeros((navir, navir, nocc, nvir), dtype=np.float64) x520 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) x521 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) x521 += einsum(t1[np.ix_(so,sv)], (0, 1), x520, (2, 3, 4, 1), (2, 3, 0, 4)) del x520 - t3new += einsum(x521, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) - t3new += einsum(x521, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) + t3new += einsum(x521, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) + t3new += einsum(x521, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) del x521 x522 = np.zeros((navir, navir, nocc, nvir), dtype=np.float64) x522 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoV, (0, 2, 3, 4), (1, 4, 3, 2)) x523 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x523 += einsum(x522, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 7, 1), (6, 0, 4, 5, 2, 7)) + x523 += einsum(x522, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (6, 0, 4, 5, 2, 7)) del x522 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x523, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -0.5 del x523 x524 = np.zeros((navir, navir, nocc, nvir), dtype=np.float64) x524 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) x525 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x525 += einsum(x524, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 3, 7, 1), (6, 0, 4, 5, 2, 7)) + x525 += einsum(x524, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (6, 0, 4, 5, 2, 7)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x525, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 0.5 del x525 x526 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x526 += einsum(x524, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + x526 += einsum(x524, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) del x524 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x526, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x526 @@ -2365,45 +2363,45 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x528 = np.zeros((navir, navir), dtype=np.float64) x528 += einsum(t1[np.ix_(so,sV)], (0, 1), x527, (2, 0), (1, 2)) del x527 - t3new += einsum(x528, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + t3new += einsum(x528, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 del x528 x529 = np.zeros((navir, nocc), dtype=np.float64) x529 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovoV, (2, 1, 0, 3), (3, 2)) x530 = np.zeros((navir, navir), dtype=np.float64) x530 += einsum(t1[np.ix_(so,sV)], (0, 1), x529, (2, 0), (1, 2)) del x529 - t3new += einsum(x530, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) + t3new += einsum(x530, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) del x530 x531 = np.zeros((naocc, naocc, nocc, nvir), dtype=np.float64) x531 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) x532 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) x532 += einsum(t1[np.ix_(so,sv)], (0, 1), x531, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new += einsum(x532, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 + t3new += einsum(x532, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 del x532 x533 = np.zeros((naocc, naocc, nocc, nvir), dtype=np.float64) x533 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvO, (2, 1, 3, 4), (0, 4, 2, 3)) x534 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) x534 += einsum(t1[np.ix_(so,sv)], (0, 1), x533, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new += einsum(x534, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 + t3new += einsum(x534, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 del x534 x535 = np.zeros((naocc, naocc, nocc, nvir), dtype=np.float64) x535 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) x536 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) x536 += einsum(t1[np.ix_(so,sv)], (0, 1), x535, (2, 3, 4, 1), (2, 3, 0, 4)) del x535 - t3new += einsum(x536, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) + t3new += einsum(x536, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) del x536 x537 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x537 += einsum(x533, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 5, 2, 6)) + x537 += einsum(x533, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 5, 2, 6)) del x533 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x537, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x537 x538 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x538 += einsum(x531, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 5, 2, 6)) + x538 += einsum(x531, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 5, 2, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x538, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) del x538 x539 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x539 += einsum(x531, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + x539 += einsum(x531, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x531 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x539, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x539 @@ -2412,21 +2410,21 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x541 = np.zeros((naocc, naocc), dtype=np.float64) x541 += einsum(t1[np.ix_(sO,sv)], (0, 1), x540, (2, 1), (0, 2)) del x540 - t3new += einsum(x541, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new += einsum(x541, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 del x541 x542 = np.zeros((naocc, nvir), dtype=np.float64) x542 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvO, (0, 2, 1, 3), (3, 2)) x543 = np.zeros((naocc, naocc), dtype=np.float64) x543 += einsum(t1[np.ix_(sO,sv)], (0, 1), x542, (2, 1), (0, 2)) del x542 - t3new += einsum(x543, (0, 1), t3[np.ix_(so,so,sO,sv,sv,sV)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) + t3new += einsum(x543, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) del x543 x544 = np.zeros((naocc, naocc, navir, nocc), dtype=np.float64) x544 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovOV, (2, 1, 3, 4), (0, 3, 4, 2)) x545 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) x545 += einsum(t1[np.ix_(so,sV)], (0, 1), x544, (2, 3, 4, 0), (2, 3, 1, 4)) x546 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) - x546 += einsum(x545, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) + x546 += einsum(x545, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) del x545 t3new += einsum(x546, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x546, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 @@ -2436,29 +2434,29 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x548 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) x548 += einsum(t1[np.ix_(so,sV)], (0, 1), x547, (2, 3, 4, 0), (2, 3, 1, 4)) del x547 - t3new += einsum(x548, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sv,sV)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) + t3new += einsum(x548, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) del x548 x549 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) x549 += einsum(t1[np.ix_(so,sv)], (0, 1), x155, (2, 3, 4, 0), (2, 3, 4, 1)) del x155 - t3new += einsum(x549, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) + t3new += einsum(x549, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) del x549 x550 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) x550 += einsum(t1[np.ix_(so,sv)], (0, 1), x544, (2, 3, 4, 0), (2, 3, 4, 1)) del x544 - t3new += einsum(x550, (0, 1, 2, 3), t3[np.ix_(so,so,sO,sv,sV,sV)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) + t3new += einsum(x550, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) del x550 x551 = np.zeros((naocc, navir, navir, nvir), dtype=np.float64) x551 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovOV, (0, 2, 3, 4), (3, 1, 4, 2)) x552 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) x552 += einsum(t1[np.ix_(so,sv)], (0, 1), x551, (2, 3, 4, 1), (2, 3, 4, 0)) del x551 - t3new += einsum(x552, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sv,sV)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) + t3new += einsum(x552, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) del x552 x553 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) x553 += einsum(t1[np.ix_(so,sv)], (0, 1), x62, (2, 3, 4, 0), (2, 3, 4, 1)) del x62 - t3new += einsum(x553, (0, 1, 2, 3), t3[np.ix_(so,sO,sO,sv,sV,sV)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 + t3new += einsum(x553, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 del x553 x554 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x554 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x97, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) @@ -2596,7 +2594,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x586, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x586 x587 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x587 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x87, (4, 5, 0, 6), (1, 3, 5, 4, 6, 2)) + x587 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x87, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) x588 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) x588 += einsum(t1[np.ix_(so,sv)], (0, 1), x587, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x587 @@ -2937,7 +2935,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x666, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 del x666 x667 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) - x667 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 0, 1, 5), (4, 2, 3, 5)) + x667 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 1, 0, 5), (4, 3, 2, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x667, (4, 5, 6, 2), (1, 0, 4, 6, 5, 3)) * -1.0 del x667 x668 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) @@ -2986,7 +2984,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x679, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x679 x680 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) - x680 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x87, (4, 5, 0, 6), (1, 2, 5, 4, 6, 3)) + x680 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x87, (4, 5, 6, 0), (1, 2, 4, 5, 6, 3)) del x87 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x680, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x680 From d5005360082594864c19ba23ff6d276bcca0747c Mon Sep 17 00:00:00 2001 From: Ollie Backhouse Date: Wed, 25 Oct 2023 23:15:24 +0100 Subject: [PATCH 03/10] Adds CCSDt to FEATURES --- FEATURES.md | 1 + 1 file changed, 1 insertion(+) diff --git a/FEATURES.md b/FEATURES.md index 933c360c..e1ea38ea 100644 --- a/FEATURES.md +++ b/FEATURES.md @@ -17,6 +17,7 @@ The following table summarises the available methods and routines for the ansatz | CCSDT | RUG | RUG | RUG | | | | RUG | RUG | - | | CCSDTQ | g | g | | | | | | | - | | CCSD(T) | RuG | RuG | | | | | | | - | +| CCSDt | RG | RG | | | | | | | - | | CCSDt' | RUG | RUG | | | | | | | - | | CC2 | RUG | RUG | RUG | | | | RUG | RUG | - | | CC3 | RUG | RUG | | | | | | | - | From 41c57fecda61f831ee958925eb38032f52acbbce Mon Sep 17 00:00:00 2001 From: Ollie Backhouse Date: Wed, 25 Oct 2023 23:17:02 +0100 Subject: [PATCH 04/10] Updates RCCSDt and GCCSDt for new types --- ebcc/codegen/GCCSDt.py | 696 +++++++++---------- ebcc/codegen/RCCSDt.py | 1434 ++++++++++++++++++++-------------------- 2 files changed, 1065 insertions(+), 1065 deletions(-) diff --git a/ebcc/codegen/GCCSDt.py b/ebcc/codegen/GCCSDt.py index 73f0e14c..d5152aba 100644 --- a/ebcc/codegen/GCCSDt.py +++ b/ebcc/codegen/GCCSDt.py @@ -8,7 +8,7 @@ def energy(f=None, v=None, nocc=None, nvir=None, t1=None, t2=None, t3=None, **kw # energy e_cc = 0 e_cc += einsum(f.ov, (0, 1), t1, (0, 1), ()) - x0 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x0 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x0 += einsum(t2, (0, 1, 2, 3), (0, 1, 2, 3)) x0 += einsum(t1, (0, 1), t1, (2, 3), (0, 2, 1, 3)) * 2.0 e_cc += einsum(v.oovv, (0, 1, 2, 3), x0, (0, 1, 2, 3), ()) * 0.25 @@ -29,7 +29,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) sVf = np.ones((navir,), dtype=bool) # T amplitudes - t1new = np.zeros((nocc, nvir), dtype=np.float64) + t1new = np.zeros((nocc, nvir), dtype=types[float]) t1new[np.ix_(so,sv)] += einsum(f.ov, (0, 1), (0, 1)) t1new[np.ix_(so,sv)] += einsum(f.oo, (0, 1), t1[np.ix_(so,sv)], (1, 2), (0, 2)) * -1.0 t1new[np.ix_(so,sv)] += einsum(f.vv, (0, 1), t1[np.ix_(so,sv)], (2, 1), (2, 0)) @@ -38,12 +38,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t1new[np.ix_(so,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (0, 1, 4, 3), (4, 2)) * -0.5 t1new[np.ix_(so,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvv, (1, 4, 2, 3), (0, 4)) * -0.5 t1new[np.ix_(so,sv)] += einsum(v.oOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 1, 5, 2, 3), (4, 5)) * 0.25 - t2new = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + t2new = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) t2new[np.ix_(so,so,sv,sv)] += einsum(v.oovv, (0, 1, 2, 3), (0, 1, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(f.OV, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oooo, (4, 5, 0, 1), (4, 5, 2, 3)) * 0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.vvvv, (4, 5, 2, 3), (0, 1, 4, 5)) * 0.5 - t3new = np.zeros((nocc, nocc, naocc, nvir, nvir, navir), dtype=np.float64) + t3new = np.zeros((nocc, nocc, naocc, nvir, nvir, navir), dtype=types[float]) t3new += einsum(f.OO, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -1.0 t3new += einsum(f.VV, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oooV, (4, 5, 0, 6), (4, 5, 1, 2, 3, 6)) @@ -51,336 +51,336 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(v.oooo, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 7), (0, 1, 4, 5, 6, 7)) * 0.5 t3new += einsum(v.OVOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 6, 7, 1), (4, 5, 0, 6, 7, 3)) * -1.0 t3new += einsum(v.vvvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 2, 3, 7), (4, 5, 6, 0, 1, 7)) * 0.5 - x0 = np.zeros((nocc, nocc), dtype=np.float64) + x0 = np.zeros((nocc, nocc), dtype=types[float]) x0 += einsum(f.ov, (0, 1), t1[np.ix_(so,sv)], (2, 1), (0, 2)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x0, (0, 2), (2, 1)) * -1.0 - x1 = np.zeros((nocc, nocc), dtype=np.float64) + x1 = np.zeros((nocc, nocc), dtype=types[float]) x1 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 0, 3, 1), (2, 3)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x1, (0, 2), (2, 1)) * -1.0 - x2 = np.zeros((nvir, nvir), dtype=np.float64) + x2 = np.zeros((nvir, nvir), dtype=types[float]) x2 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (0, 2, 3, 1), (2, 3)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x2, (2, 1), (0, 2)) * -1.0 - x3 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x3 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x3 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) t1new[np.ix_(so,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x3, (4, 0, 1, 3), (4, 2)) * 0.5 - x4 = np.zeros((nocc, nocc), dtype=np.float64) + x4 = np.zeros((nocc, nocc), dtype=types[float]) x4 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 1, 2, 3), (0, 4)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x4, (2, 0), (2, 1)) * -0.5 - x5 = np.zeros((nocc, nvir), dtype=np.float64) + x5 = np.zeros((nocc, nvir), dtype=types[float]) x5 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovv, (2, 0, 3, 1), (2, 3)) t1new[np.ix_(so,sv)] += einsum(x5, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 1), (2, 3)) - x6 = np.zeros((nocc, nocc), dtype=np.float64) + x6 = np.zeros((nocc, nocc), dtype=types[float]) x6 += einsum(t1[np.ix_(so,sv)], (0, 1), x5, (2, 1), (0, 2)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x6, (2, 0), (2, 1)) * -1.0 - x7 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x7 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x7 += einsum(f.oo, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (0, 2, 3, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x7, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x7, (0, 1, 2, 3), (1, 0, 3, 2)) del x7 - x8 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x8 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x8 += einsum(f.vv, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 0, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x8, (0, 1, 2, 3), (1, 0, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x8, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x8 - x9 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x9 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x9 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x9, (0, 1, 2, 3), (1, 0, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x9, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x9 - x10 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x10 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x10 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x10, (0, 1, 2, 3), (0, 1, 3, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(x10, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x10 - x11 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x11 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x11 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(x11, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x11, (0, 1, 2, 3), (0, 1, 3, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(x11, (0, 1, 2, 3), (1, 0, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x11, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x11 - x12 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x12 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x12 += einsum(v.oOoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 1, 5, 6, 3), (4, 2, 5, 6)) t2new[np.ix_(so,so,sv,sv)] += einsum(x12, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x12, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 del x12 - x13 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x13 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x13 += einsum(v.vOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 2, 3), (4, 5, 6, 0)) t2new[np.ix_(so,so,sv,sv)] += einsum(x13, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x13, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 del x13 - x14 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x14 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x14 += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 4), (1, 2, 3, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x14, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x14, (0, 1, 2, 3), (1, 0, 3, 2)) del x14 - x15 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x15 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x15 += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (0, 2, 3, 4)) - x16 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x16 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x16 += einsum(t1[np.ix_(so,sv)], (0, 1), x15, (0, 2, 3, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x16, (0, 1, 2, 3), (0, 1, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x16, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x16 - x17 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x17 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x17 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooo, (2, 3, 4, 0), (2, 3, 4, 1)) t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x17, (2, 3, 0, 4), (2, 3, 1, 4)) del x17 - x18 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x18 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x18 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) - x19 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x19 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x19 += einsum(t1[np.ix_(so,sv)], (0, 1), x18, (2, 0, 3, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (0, 1, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (1, 0, 3, 2)) del x19 - x20 = np.zeros((nocc, nvir, nvir, nvir), dtype=np.float64) + x20 = np.zeros((nocc, nvir, nvir, nvir), dtype=types[float]) x20 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x20, (2, 3, 4, 1), (0, 2, 4, 3)) * -1.0 del x20 - x21 = np.zeros((nocc, nocc, nocc, nocc), dtype=np.float64) + x21 = np.zeros((nocc, nocc, nocc, nocc), dtype=types[float]) x21 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - x22 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x22 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x22 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x21, (4, 0, 1, 5), (4, 5, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x22, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x22, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 del x22 - x23 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x23 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x23 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) - x24 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x24 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x24 += einsum(t1[np.ix_(so,sv)], (0, 1), x23, (2, 0, 3, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (0, 1, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (1, 0, 3, 2)) del x24 - x25 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x25 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x25 += einsum(x1, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 4), (2, 1, 3, 4)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x25, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x25, (0, 1, 2, 3), (1, 0, 3, 2)) del x25 - x26 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x26 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x26 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x27 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x27 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x27 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x26, (4, 1, 5, 3), (4, 0, 2, 5)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (0, 1, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (1, 0, 3, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 del x27 - x28 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x28 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x28 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvv, (4, 5, 2, 3), (0, 1, 4, 5)) - x29 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x29 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x29 += einsum(t1[np.ix_(so,sv)], (0, 1), x28, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x29, (0, 1, 2, 3), (0, 1, 2, 3)) * -0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x29, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 del x29 - x30 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x30 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x30 += einsum(x2, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 4, 0)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x30, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x30, (0, 1, 2, 3), (0, 1, 2, 3)) del x30 - x31 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x31 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x31 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvV, (2, 3, 1, 4), (3, 4, 0, 2)) - x32 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x32 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x32 += einsum(x31, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) del x31 t2new[np.ix_(so,so,sv,sv)] += einsum(x32, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x32, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 del x32 - x33 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x33 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x33 += einsum(v.oOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 2, 3), (4, 5, 0, 6)) - x34 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x34 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x34 += einsum(t1[np.ix_(so,sv)], (0, 1), x33, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x34, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x34, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 del x34 - x35 = np.zeros((naocc, navir), dtype=np.float64) + x35 = np.zeros((naocc, navir), dtype=types[float]) x35 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvV, (0, 2, 1, 3), (2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x35, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) del x35 - x36 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x36 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x36 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 1, 5, 3), (0, 4, 2, 5)) - x37 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x37 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x37 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x36, (4, 1, 5, 3), (4, 0, 5, 2)) del x36 t2new[np.ix_(so,so,sv,sv)] += einsum(x37, (0, 1, 2, 3), (0, 1, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x37, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x37 - x38 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x38 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x38 += einsum(x4, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (2, 0, 3, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x38, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x38, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 del x38 - x39 = np.zeros((nvir, nvir), dtype=np.float64) + x39 = np.zeros((nvir, nvir), dtype=types[float]) x39 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (0, 1, 4, 3), (2, 4)) - x40 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x40 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x40 += einsum(x39, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 4, 0)) t2new[np.ix_(so,so,sv,sv)] += einsum(x40, (0, 1, 2, 3), (0, 1, 2, 3)) * -0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x40, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 del x40 - x41 = np.zeros((nocc, nocc, nocc, nocc), dtype=np.float64) + x41 = np.zeros((nocc, nocc, nocc, nocc), dtype=types[float]) x41 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 5, 2, 3), (0, 1, 4, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x41, (4, 5, 0, 1), (5, 4, 2, 3)) * -0.25 t3new += einsum(x41, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) * -0.25 - x42 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x42 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x42 += einsum(t1[np.ix_(so,sv)], (0, 1), x21, (2, 0, 3, 4), (2, 3, 4, 1)) * -1.0 - x43 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x43 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x43 += einsum(t1[np.ix_(so,sv)], (0, 1), x42, (2, 0, 3, 4), (2, 3, 4, 1)) * -1.0 del x42 t2new[np.ix_(so,so,sv,sv)] += einsum(x43, (0, 1, 2, 3), (0, 1, 3, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(x43, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x43 - x44 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x44 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x44 += einsum(t1[np.ix_(so,sv)], (0, 1), x26, (2, 3, 4, 1), (2, 0, 3, 4)) * -1.0 - x45 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x45 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x45 += einsum(t1[np.ix_(so,sv)], (0, 1), x44, (2, 3, 0, 4), (3, 2, 1, 4)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x45, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x45, (0, 1, 2, 3), (0, 1, 3, 2)) del x45 - x46 = np.zeros((nocc, nocc, nocc, nocc), dtype=np.float64) + x46 = np.zeros((nocc, nocc, nocc, nocc), dtype=types[float]) x46 += einsum(t1[np.ix_(so,sv)], (0, 1), x3, (2, 3, 4, 1), (2, 0, 4, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x46, (4, 5, 0, 1), (5, 4, 2, 3)) * -0.5 t3new += einsum(x46, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) * -0.5 - x47 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x47 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x47 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x3, (4, 1, 5, 3), (4, 0, 5, 2)) - x48 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x48 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x48 += einsum(t1[np.ix_(so,sv)], (0, 1), x47, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (0, 1, 3, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (1, 0, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x48 - x49 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x49 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x49 += einsum(x6, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (0, 2, 3, 4)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x49, (0, 1, 2, 3), (0, 1, 3, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(x49, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x49 - x50 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x50 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x50 += einsum(t1[np.ix_(so,sv)], (0, 1), x41, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x50, (2, 3, 0, 4), (2, 3, 1, 4)) * 0.5 del x50 - x51 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x51 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x51 += einsum(x5, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 - x52 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x52 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x52 += einsum(t1[np.ix_(so,sv)], (0, 1), x51, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x52, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x52, (0, 1, 2, 3), (0, 1, 3, 2)) del x52 - x53 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x53 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x53 += einsum(t1[np.ix_(so,sv)], (0, 1), x46, (2, 3, 4, 0), (2, 3, 4, 1)) t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x53, (2, 3, 0, 4), (3, 2, 1, 4)) * -1.0 del x53 - x54 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x54 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x54 += einsum(f.oo, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) t3new += einsum(x54, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x54, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x54 - x55 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x55 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x55 += einsum(f.vv, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) t3new += einsum(x55, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x55, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x55 - x56 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x56 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x56 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (1, 4, 5, 6), (6, 3, 0, 5, 2, 4)) t3new += einsum(x56, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x56, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x56, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x56, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 del x56 - x57 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x57 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x57 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oOoV, (4, 5, 1, 6), (5, 6, 0, 4, 2, 3)) t3new += einsum(x57, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x57, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x57 - x58 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x58 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x58 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) t3new += einsum(x58, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x58, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x58 - x59 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x59 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x59 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (4, 3, 5, 6), (1, 6, 0, 4, 2, 5)) t3new += einsum(x59, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x59, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x59, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x59, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x59 - x60 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x60 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x60 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) t3new += einsum(x60, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x60, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x60 - x61 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x61 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x61 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.vOvV, (3, 4, 5, 6), (4, 6, 0, 1, 2, 5)) t3new += einsum(x61, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x61, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x61 - x62 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x62 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x62 += einsum(v.oOoO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 3, 5, 6, 7), (1, 7, 4, 0, 5, 6)) t3new += einsum(x62, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 t3new += einsum(x62, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 del x62 - x63 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x63 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x63 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) t3new += einsum(x63, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 t3new += einsum(x63, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x63, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x63, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x63 - x64 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x64 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x64 += einsum(v.oVoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 7, 1), (5, 3, 4, 0, 6, 7)) t3new += einsum(x64, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 t3new += einsum(x64, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x64 - x65 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x65 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x65 += einsum(v.vOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 2, 7), (3, 7, 4, 5, 6, 0)) t3new += einsum(x65, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x65, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x65 - x66 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x66 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x66 += einsum(v.vVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 2, 3), (6, 1, 4, 5, 7, 0)) t3new += einsum(x66, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 t3new += einsum(x66, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 del x66 - x67 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x67 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x67 += einsum(x0, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 0, 3, 4, 5, 6), (3, 6, 1, 2, 4, 5)) del x0 t3new += einsum(x67, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x67, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x67 - x68 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x68 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x68 += einsum(f.ov, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) - x69 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x69 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x69 += einsum(t1[np.ix_(so,sv)], (0, 1), x68, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) del x68 t3new += einsum(x69, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x69, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x69 - x70 = np.zeros((navir, navir), dtype=np.float64) + x70 = np.zeros((navir, navir), dtype=types[float]) x70 += einsum(f.oV, (0, 1), t1[np.ix_(so,sV)], (0, 2), (1, 2)) t3new += einsum(x70, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -1.0 del x70 - x71 = np.zeros((naocc, naocc), dtype=np.float64) + x71 = np.zeros((naocc, naocc), dtype=types[float]) x71 += einsum(f.vO, (0, 1), t1[np.ix_(sO,sv)], (2, 0), (1, 2)) t3new += einsum(x71, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -1.0 del x71 - x72 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x72 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x72 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sv,sV)], (2, 3, 1, 4), (3, 4, 0, 2)) - x73 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x73 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x73 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x72, (4, 5, 1, 6), (4, 5, 6, 0, 2, 3)) del x72 t3new += einsum(x73, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x73, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x73 - x74 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x74 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x74 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x15, (0, 4, 5, 6), (1, 3, 4, 5, 2, 6)) del x15 t3new += einsum(x74, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x74, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x74 - x75 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x75 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x75 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 4, 1), (3, 0, 2, 4)) * -1.0 - x76 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x76 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x76 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x75, (4, 1, 5, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x75 t3new += einsum(x76, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 @@ -388,13 +388,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x76, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x76, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x76 - x77 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x77 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x77 += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sV)], (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x77, (4, 0, 5, 6), (5, 6, 1, 2, 3, 4)) * -1.0 del x77 - x78 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x78 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x78 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooO, (2, 0, 3, 4), (4, 3, 2, 1)) * -1.0 - x79 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x79 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x79 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x78, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) del x78 t3new += einsum(x79, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 @@ -402,9 +402,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x79, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x79, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x79 - x80 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x80 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x80 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvO, (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 - x81 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x81 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x81 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x80, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 del x80 t3new += einsum(x81, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) @@ -412,47 +412,47 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x81, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 t3new += einsum(x81, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x81 - x82 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x82 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x82 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvO, (4, 5, 2, 6), (6, 3, 0, 1, 4, 5)) - x83 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x83 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x83 += einsum(t1[np.ix_(so,sv)], (0, 1), x82, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x82 t3new += einsum(x83, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x83, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x83 - x84 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x84 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x84 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvO, (2, 3, 1, 4), (4, 3, 0, 2)) - x85 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x85 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x85 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x84, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x84 t3new += einsum(x85, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x85, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x85 - x86 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x86 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x86 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 3, 6), (6, 5, 0, 1, 4, 2)) - x87 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x87 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x87 += einsum(t1[np.ix_(so,sv)], (0, 1), x86, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x86 t3new += einsum(x87, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x87, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x87 - x88 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x88 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x88 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oooo, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) - x89 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x89 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x89 += einsum(t1[np.ix_(so,sv)], (0, 1), x88, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x88 t3new += einsum(x89, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x89, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x89 - x90 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x90 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x90 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovoV, (2, 1, 3, 4), (4, 0, 3, 2)) * -1.0 - x91 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x91 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x91 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x90, (4, 5, 0, 6), (1, 4, 5, 6, 2, 3)) * -1.0 del x90 t3new += einsum(x91, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x91, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x91 - x92 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x92 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x92 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x18, (4, 0, 5, 6), (1, 3, 4, 5, 2, 6)) del x18 t3new += einsum(x92, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) @@ -460,9 +460,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x92, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x92, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x92 - x93 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x93 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x93 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovoV, (4, 3, 5, 6), (1, 6, 0, 5, 4, 2)) - x94 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x94 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x94 += einsum(t1[np.ix_(so,sv)], (0, 1), x93, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x93 t3new += einsum(x94, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) @@ -470,9 +470,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x94, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x94, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x94 - x95 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x95 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x95 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 5, 6, 2), (1, 3, 0, 4, 6, 5)) - x96 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x96 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x96 += einsum(t1[np.ix_(so,sv)], (0, 1), x95, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x95 t3new += einsum(x96, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) @@ -480,29 +480,29 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x96, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x96, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x96 - x97 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x97 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x97 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooO, (2, 0, 3, 4), (4, 1, 3, 2)) * -1.0 - x98 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x98 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x98 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x97, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) * -1.0 del x97 t3new += einsum(x98, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x98, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x98 - x99 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x99 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x99 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvO, (0, 2, 3, 4), (4, 1, 3, 2)) * -1.0 - x100 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x100 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x100 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x99, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) del x99 t3new += einsum(x100, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x100, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x100 - x101 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x101 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x101 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooo, (2, 3, 4, 0), (1, 2, 3, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x101, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -1.0 del x101 - x102 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x102 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x102 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovov, (2, 3, 0, 4), (1, 2, 3, 4)) - x103 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x103 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x103 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x102, (4, 5, 3, 6), (1, 4, 0, 5, 2, 6)) * -1.0 del x102 t3new += einsum(x103, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 @@ -510,9 +510,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x103, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x103, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x103 - x104 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x104 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x104 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvvV, (2, 1, 3, 4), (4, 0, 3, 2)) * -1.0 - x105 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x105 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x105 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x104, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) del x104 t3new += einsum(x105, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 @@ -520,25 +520,25 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x105, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x105, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x105 - x106 = np.zeros((naocc, navir, nocc, nvir, nvir, nvir), dtype=np.float64) + x106 = np.zeros((naocc, navir, nocc, nvir, nvir, nvir), dtype=types[float]) x106 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.vvvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x107 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x107 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x107 += einsum(t1[np.ix_(so,sv)], (0, 1), x106, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) del x106 t3new += einsum(x107, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x107, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x107 - x108 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x108 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x108 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovoV, (2, 1, 3, 4), (0, 4, 3, 2)) * -1.0 - x109 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x109 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x109 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x108, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) del x108 t3new += einsum(x109, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x109, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x109 - x110 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x110 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x110 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) - x111 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x111 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x111 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x110, (4, 1, 5, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x110 t3new += einsum(x111, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 @@ -546,34 +546,34 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x111, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x111, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x111 - x112 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x112 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x112 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvV, (2, 1, 3, 4), (0, 4, 3, 2)) * -1.0 - x113 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x113 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x113 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x112, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) * -1.0 del x112 t3new += einsum(x113, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x113, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x113 - x114 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x114 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) x114 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x114, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) del x114 - x115 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x115 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x115 += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 4, 5, 6, 7), (4, 7, 0, 3, 5, 6)) t3new += einsum(x115, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x115, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 del x115 - x116 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x116 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) x116 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvO, (2, 3, 1, 4), (3, 4, 0, 2)) - x117 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x117 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x117 += einsum(x116, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 0, 5, 6, 7), (1, 7, 2, 4, 5, 6)) del x116 t3new += einsum(x117, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x117, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 del x117 - x118 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x118 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x118 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) - x119 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x119 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x119 += einsum(t1[np.ix_(so,sv)], (0, 1), x118, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x118 t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 @@ -581,25 +581,25 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x119 - x120 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x120 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x120 += einsum(x1, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 0, 3, 4, 5, 6), (3, 6, 2, 1, 4, 5)) * -1.0 del x1 t3new += einsum(x120, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x120, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x120 - x121 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x121 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x121 += einsum(v.oOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 2, 7), (3, 7, 4, 5, 0, 6)) - x122 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x122 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x122 += einsum(t1[np.ix_(so,sv)], (0, 1), x121, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x121 t3new += einsum(x122, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x122, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x122 - x123 = np.zeros((naocc, naocc), dtype=np.float64) + x123 = np.zeros((naocc, naocc), dtype=types[float]) x123 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvO, (0, 2, 1, 3), (2, 3)) t3new += einsum(x123, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -1.0 del x123 - x124 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x124 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x124 += einsum(x26, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) * -1.0 del x26 t3new += einsum(x124, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 @@ -607,83 +607,83 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x124, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x124, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 del x124 - x125 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x125 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x125 += einsum(v.ovvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 2, 3, 7), (6, 7, 4, 5, 0, 1)) - x126 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x126 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x126 += einsum(t1[np.ix_(so,sv)], (0, 1), x125, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x125 t3new += einsum(x126, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 t3new += einsum(x126, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 del x126 - x127 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x127 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x127 += einsum(x2, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) * -1.0 del x2 t3new += einsum(x127, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x127, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x127 - x128 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x128 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) x128 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvV, (2, 3, 1, 4), (3, 4, 0, 2)) - x129 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x129 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x129 += einsum(x128, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x128 t3new += einsum(x129, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x129, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x129 - x130 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x130 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x130 += einsum(v.oVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 2, 3), (6, 1, 4, 5, 0, 7)) - x131 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x131 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x131 += einsum(t1[np.ix_(so,sv)], (0, 1), x130, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x130 t3new += einsum(x131, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 t3new += einsum(x131, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 del x131 - x132 = np.zeros((navir, navir), dtype=np.float64) + x132 = np.zeros((navir, navir), dtype=types[float]) x132 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvV, (0, 2, 1, 3), (2, 3)) t3new += einsum(x132, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) del x132 - x133 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x133 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) x133 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooV, (2, 0, 3, 4), (1, 4, 3, 2)) * -1.0 - x134 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x134 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x134 += einsum(x133, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (5, 0, 4, 2, 6, 7)) * -1.0 del x133 t3new += einsum(x134, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x134, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x134 - x135 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x135 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) x135 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oOOV, (0, 2, 3, 4), (3, 2, 1, 4)) * -1.0 t3new += einsum(x135, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) del x135 - x136 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) + x136 = np.zeros((navir, navir, nvir, nvir), dtype=types[float]) x136 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvV, (0, 2, 3, 4), (1, 4, 3, 2)) * -1.0 - x137 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x137 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x137 += einsum(x136, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 2, 1), (6, 0, 4, 5, 7, 3)) del x136 t3new += einsum(x137, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x137, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 del x137 - x138 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x138 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) x138 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovoO, (2, 1, 3, 4), (0, 4, 3, 2)) * -1.0 - x139 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x139 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x139 += einsum(x138, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 1, 5, 6, 7), (0, 7, 4, 3, 5, 6)) del x138 t3new += einsum(x139, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 t3new += einsum(x139, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 del x139 - x140 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) + x140 = np.zeros((naocc, naocc, nvir, nvir), dtype=types[float]) x140 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvO, (2, 1, 3, 4), (0, 4, 3, 2)) * -1.0 - x141 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x141 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x141 += einsum(x140, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 6, 2)) * -1.0 del x140 t3new += einsum(x141, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x141, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x141 - x142 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x142 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) x142 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vVOV, (1, 2, 3, 4), (0, 3, 4, 2)) * -1.0 t3new += einsum(x142, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) del x142 - x143 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x143 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x143 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovO, (4, 1, 3, 5), (5, 0, 4, 2)) * -1.0 - x144 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x144 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x144 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x143, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x143 t3new += einsum(x144, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) @@ -691,27 +691,27 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x144, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x144, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x144 - x145 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x145 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x145 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovO, (4, 1, 2, 5), (5, 3, 0, 4)) - x146 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x146 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x146 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x145, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 del x145 t3new += einsum(x146, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x146, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x146 - x147 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x147 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x147 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovO, (0, 1, 4, 5), (5, 3, 2, 4)) - x148 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x148 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x148 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x147, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x147 t3new += einsum(x148, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x148, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 del x148 - x149 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x149 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) x149 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovO, (0, 1, 4, 5), (5, 2, 3, 4)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x149, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * -0.5 del x149 - x150 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x150 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x150 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x23, (4, 0, 5, 6), (1, 3, 4, 5, 2, 6)) del x23 t3new += einsum(x150, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 @@ -719,24 +719,24 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x150, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x150, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 del x150 - x151 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x151 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x151 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 2), (1, 3, 4, 5)) - x152 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x152 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x152 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x151, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) * -1.0 del x151 t3new += einsum(x152, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x152, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x152 - x153 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x153 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) x153 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x154 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x154 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x154 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x153, (4, 5, 6, 1, 0, 7), (4, 5, 6, 7, 2, 3)) * -1.0 t3new += einsum(x154, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x154, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 del x154 - x155 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x155 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x155 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 - x156 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x156 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x156 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x155, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) del x155 t3new += einsum(x156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) @@ -744,17 +744,17 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 t3new += einsum(x156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x156 - x157 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x157 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x157 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 1, 5, 2), (3, 0, 4, 5)) * -1.0 - x158 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x158 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x158 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x157, (4, 5, 0, 6), (1, 4, 5, 6, 2, 3)) * -1.0 del x157 t3new += einsum(x158, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x158, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x158 - x159 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x159 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x159 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (0, 1, 4, 5), (3, 4, 2, 5)) * -1.0 - x160 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x160 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x160 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x159, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x159 t3new += einsum(x160, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 @@ -762,32 +762,32 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x160, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 t3new += einsum(x160, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 del x160 - x161 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x161 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x161 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x162 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x162 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x162 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x161, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 2, 7)) * -1.0 t3new += einsum(x162, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x162, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x162, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x162, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x162 - x163 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x163 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x163 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) - x164 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x164 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x164 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x163, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) * -1.0 del x163 t3new += einsum(x164, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x164, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x164 - x165 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x165 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x165 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x28, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x28 t3new += einsum(x165, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x165, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 del x165 - x166 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x166 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x166 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (4, 5, 2, 3), (1, 0, 4, 5)) * -1.0 - x167 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x167 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x167 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x166, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 del x166 t3new += einsum(x167, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 @@ -795,9 +795,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x167, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x167, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 del x167 - x168 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x168 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x168 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvv, (1, 4, 5, 2), (3, 0, 4, 5)) * -1.0 - x169 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x169 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x169 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x168 t3new += einsum(x169, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 @@ -805,17 +805,17 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x169, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x169, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x169 - x170 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x170 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) x170 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) * -1.0 - x171 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x171 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x171 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x170, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) del x170 t3new += einsum(x171, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x171, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x171 - x172 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x172 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x172 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oVvv, (1, 4, 5, 3), (4, 0, 2, 5)) * -1.0 - x173 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x173 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x173 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x172, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x172 t3new += einsum(x173, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 @@ -823,45 +823,45 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x173, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x173, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x173 - x174 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x174 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x174 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvv, (4, 5, 2, 3), (1, 5, 0, 4)) - x175 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x175 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x175 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x174, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x174 t3new += einsum(x175, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 t3new += einsum(x175, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 del x175 - x176 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x176 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x176 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvv, (0, 4, 5, 3), (1, 4, 2, 5)) - x177 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x177 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x177 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x176, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 del x176 t3new += einsum(x177, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x177, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x177 - x178 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x178 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x178 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oVvv, (4, 5, 2, 3), (5, 0, 1, 4)) * -1.0 t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x178, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -0.5 del x178 - x179 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x179 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x179 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 4, 5, 3, 6), (4, 6, 5, 2)) - x180 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x180 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x180 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x179 t3new += einsum(x180, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 t3new += einsum(x180, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 del x180 - x181 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x181 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x181 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 2, 3, 6), (5, 6, 4, 0)) - x182 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x182 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x182 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x181, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x181 t3new += einsum(x182, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x182, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 del x182 - x183 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x183 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x183 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 6, 2)) - x184 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x184 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x184 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x183, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) del x183 t3new += einsum(x184, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) @@ -869,28 +869,28 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x184, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x184, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x184 - x185 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x185 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x185 += einsum(x4, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 del x4 t3new += einsum(x185, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x185, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 del x185 - x186 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x186 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) x186 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 2, 3, 7), (6, 7, 4, 5, 0, 1)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x186, (4, 5, 6, 7, 0, 1), (6, 7, 4, 2, 3, 5)) * 0.25 - x187 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x187 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x187 += einsum(x39, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 del x39 t3new += einsum(x187, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 t3new += einsum(x187, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 del x187 - x188 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x188 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) x188 += einsum(v.oovV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 4, 5, 6, 3), (4, 5, 6, 2)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x188, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * 0.5 del x188 - x189 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x189 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x189 += einsum(v.oovV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 2, 3), (5, 4, 0, 6)) * -1.0 - x190 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x190 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x190 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x189, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x189 t3new += einsum(x190, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 @@ -898,29 +898,29 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x190, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 t3new += einsum(x190, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 del x190 - x191 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x191 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) x191 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovV, (4, 1, 2, 5), (3, 5, 0, 4)) - x192 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x192 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x192 += einsum(x191, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) * -1.0 del x191 t3new += einsum(x192, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x192, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x192 - x193 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) + x193 = np.zeros((navir, navir, nvir, nvir), dtype=types[float]) x193 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovV, (0, 1, 4, 5), (3, 5, 2, 4)) - x194 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x194 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x194 += einsum(x193, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) del x193 t3new += einsum(x194, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.25 t3new += einsum(x194, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.25 del x194 - x195 = np.zeros((navir, navir), dtype=np.float64) + x195 = np.zeros((navir, navir), dtype=types[float]) x195 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovV, (0, 1, 2, 4), (3, 4)) t3new += einsum(x195, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -0.5 del x195 - x196 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x196 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x196 += einsum(v.oOvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 1, 5, 3, 6), (6, 4, 5, 2)) * -1.0 - x197 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x197 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x197 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x196, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x196 t3new += einsum(x197, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 @@ -928,54 +928,54 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x197, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 t3new += einsum(x197, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 del x197 - x198 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x198 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) x198 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oOvv, (4, 5, 2, 3), (1, 5, 0, 4)) - x199 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x199 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x199 += einsum(x198, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x198 t3new += einsum(x199, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.25 t3new += einsum(x199, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.25 del x199 - x200 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x200 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x200 += einsum(v.oOvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 2, 3, 6), (6, 4, 5, 0)) * -1.0 t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x200, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * 0.5 del x200 - x201 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) + x201 = np.zeros((naocc, naocc, nvir, nvir), dtype=types[float]) x201 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oOvv, (0, 4, 5, 3), (1, 4, 2, 5)) - x202 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x202 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x202 += einsum(x201, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) * -1.0 del x201 t3new += einsum(x202, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x202, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x202 - x203 = np.zeros((naocc, naocc), dtype=np.float64) + x203 = np.zeros((naocc, naocc), dtype=types[float]) x203 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oOvv, (0, 4, 2, 3), (1, 4)) t3new += einsum(x203, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -0.5 del x203 - x204 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) + x204 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=types[float]) x204 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oOvV, (4, 5, 2, 6), (1, 5, 3, 6, 0, 4)) - x205 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x205 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x205 += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x204, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) del x204 t3new += einsum(x205, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 t3new += einsum(x205, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 del x205 - x206 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x206 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x206 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x33, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x33 t3new += einsum(x206, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 t3new += einsum(x206, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 del x206 - x207 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x207 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) x207 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oOvV, (0, 4, 2, 5), (1, 4, 3, 5)) t3new += einsum(x207, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) del x207 - x208 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) + x208 = np.zeros((naocc, nocc, nocc, nocc), dtype=types[float]) x208 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovO, (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 - x209 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x209 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x209 += einsum(t1[np.ix_(so,sv)], (0, 1), x208, (2, 3, 4, 0), (2, 3, 4, 1)) del x208 - x210 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x210 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x210 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x209, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) del x209 t3new += einsum(x210, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) @@ -983,17 +983,17 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x210, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x210, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x210 - x211 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x211 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) x211 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovO, (4, 5, 2, 6), (6, 3, 0, 1, 4, 5)) - x212 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x212 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x212 += einsum(t1[np.ix_(so,sv)], (0, 1), x211, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x211 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x212, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x212 - x213 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x213 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x213 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x21, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) * -1.0 del x21 - x214 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x214 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x214 += einsum(t1[np.ix_(so,sv)], (0, 1), x213, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x213 t3new += einsum(x214, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 @@ -1001,25 +1001,25 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x214, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x214, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x214 - x215 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x215 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x215 += einsum(t1[np.ix_(so,sv)], (0, 1), x153, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 6, 1)) del x153 - x216 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x216 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x216 += einsum(t1[np.ix_(so,sv)], (0, 1), x215, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 6, 1)) * -1.0 del x215 t3new += einsum(x216, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x216, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x216 - x217 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x217 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x217 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x44, (4, 5, 0, 6), (1, 3, 5, 4, 2, 6)) * -1.0 del x44 t3new += einsum(x217, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x217, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x217 - x218 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x218 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x218 += einsum(t1[np.ix_(so,sv)], (0, 1), x161, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) del x161 - x219 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x219 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x219 += einsum(t1[np.ix_(so,sv)], (0, 1), x218, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x218 t3new += einsum(x219, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 @@ -1027,16 +1027,16 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x219, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x219, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x219 - x220 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x220 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x220 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvv, (2, 3, 4, 1), (3, 0, 2, 4)) * -1.0 - x221 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x221 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x221 += einsum(t1[np.ix_(so,sv)], (0, 1), x220, (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x221, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -1.0 del x221 - x222 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x222 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x222 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x220, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) del x220 - x223 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x223 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x223 += einsum(t1[np.ix_(so,sv)], (0, 1), x222, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x222 t3new += einsum(x223, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 @@ -1044,39 +1044,39 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x223, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x223, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x223 - x224 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x224 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x224 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oovO, (2, 0, 3, 4), (4, 1, 2, 3)) * -1.0 - x225 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x225 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x225 += einsum(t1[np.ix_(so,sv)], (0, 1), x224, (2, 3, 4, 1), (2, 3, 0, 4)) - x226 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x226 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x226 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x225, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 del x225 t3new += einsum(x226, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x226, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x226 - x227 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x227 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x227 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x224, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x224 - x228 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x228 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x228 += einsum(t1[np.ix_(so,sv)], (0, 1), x227, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 del x227 t3new += einsum(x228, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x228, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x228 - x229 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x229 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x229 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ooov, (2, 0, 3, 4), (1, 2, 3, 4)) - x230 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x230 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x230 += einsum(t1[np.ix_(so,sv)], (0, 1), x229, (2, 3, 4, 1), (2, 0, 3, 4)) - x231 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x231 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x231 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x230, (4, 5, 0, 6), (1, 4, 5, 6, 2, 3)) del x230 t3new += einsum(x231, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x231, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x231 - x232 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x232 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x232 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x229, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 del x229 - x233 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x233 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x233 += einsum(t1[np.ix_(so,sv)], (0, 1), x232, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) * -1.0 del x232 t3new += einsum(x233, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 @@ -1084,12 +1084,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x233, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x233, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x233 - x234 = np.zeros((navir, nvir, nvir, nvir), dtype=np.float64) + x234 = np.zeros((navir, nvir, nvir, nvir), dtype=types[float]) x234 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvv, (0, 2, 3, 4), (1, 2, 3, 4)) - x235 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x235 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x235 += einsum(t1[np.ix_(so,sv)], (0, 1), x234, (2, 3, 4, 1), (2, 0, 3, 4)) del x234 - x236 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x236 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x236 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x235, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) del x235 t3new += einsum(x236, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 @@ -1097,12 +1097,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x236, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x236, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 del x236 - x237 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) + x237 = np.zeros((naocc, nocc, nocc, nocc), dtype=types[float]) x237 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - x238 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x238 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x238 += einsum(t1[np.ix_(so,sv)], (0, 1), x237, (2, 3, 0, 4), (2, 3, 4, 1)) del x237 - x239 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x239 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x239 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x238, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) del x238 t3new += einsum(x239, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) @@ -1110,11 +1110,11 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x239, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x239, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x239 - x240 = np.zeros((naocc, nocc, nvir, nvir), dtype=np.float64) + x240 = np.zeros((naocc, nocc, nvir, nvir), dtype=types[float]) x240 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x241 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x241 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x241 += einsum(t1[np.ix_(so,sv)], (0, 1), x240, (2, 3, 4, 1), (2, 0, 3, 4)) * -1.0 - x242 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x242 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x242 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x241, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 del x241 t3new += einsum(x242, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) @@ -1122,53 +1122,53 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x242, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 t3new += einsum(x242, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x242 - x243 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x243 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x243 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x240, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) del x240 - x244 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x244 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x244 += einsum(t1[np.ix_(so,sv)], (0, 1), x243, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x243 t3new += einsum(x244, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x244, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x244 - x245 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x245 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x245 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oVvv, (2, 3, 4, 1), (0, 3, 2, 4)) * -1.0 - x246 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x246 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x246 += einsum(t1[np.ix_(so,sv)], (0, 1), x245, (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 - x247 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x247 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x247 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x246, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x246 t3new += einsum(x247, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x247, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x247 - x248 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x248 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x248 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x245, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 del x245 - x249 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x249 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x249 += einsum(t1[np.ix_(so,sv)], (0, 1), x248, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x248 t3new += einsum(x249, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x249, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x249 - x250 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x250 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x250 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ooov, (4, 0, 5, 3), (2, 1, 4, 5)) - x251 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x251 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x251 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x250, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) * -1.0 del x250 t3new += einsum(x251, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x251, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x251 - x252 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x252 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x252 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ovvv, (0, 4, 5, 3), (2, 1, 4, 5)) - x253 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x253 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x253 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x252, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) * -1.0 del x252 t3new += einsum(x253, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x253, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x253 - x254 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x254 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x254 += einsum(x3, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) - x255 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x255 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x255 += einsum(t1[np.ix_(so,sv)], (0, 1), x254, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x254 t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 @@ -1176,85 +1176,85 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x255 - x256 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x256 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x256 += einsum(x6, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 del x6 t3new += einsum(x256, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x256, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x256 - x257 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x257 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x257 += einsum(t1[np.ix_(so,sv)], (0, 1), x186, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x186 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x257, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 0.5 del x257 - x258 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x258 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x258 += einsum(x5, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 - x259 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x259 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x259 += einsum(t1[np.ix_(so,sv)], (0, 1), x258, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x258 t3new += einsum(x259, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x259, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x259 - x260 = np.zeros((navir, navir, nocc, nvir), dtype=np.float64) + x260 = np.zeros((navir, navir, nocc, nvir), dtype=types[float]) x260 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oovV, (2, 0, 3, 4), (1, 4, 2, 3)) * -1.0 - x261 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x261 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) x261 += einsum(t1[np.ix_(so,sv)], (0, 1), x260, (2, 3, 4, 1), (2, 3, 0, 4)) - x262 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x262 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x262 += einsum(x261, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) * -1.0 del x261 t3new += einsum(x262, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x262, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x262 - x263 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x263 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x263 += einsum(x260, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) del x260 - x264 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x264 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x264 += einsum(t1[np.ix_(so,sv)], (0, 1), x263, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 del x263 t3new += einsum(x264, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 t3new += einsum(x264, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 del x264 - x265 = np.zeros((navir, nocc), dtype=np.float64) + x265 = np.zeros((navir, nocc), dtype=types[float]) x265 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovV, (2, 0, 1, 3), (3, 2)) * -1.0 - x266 = np.zeros((navir, navir), dtype=np.float64) + x266 = np.zeros((navir, navir), dtype=types[float]) x266 += einsum(t1[np.ix_(so,sV)], (0, 1), x265, (2, 0), (1, 2)) del x265 t3new += einsum(x266, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -1.0 del x266 - x267 = np.zeros((naocc, naocc, nocc, nvir), dtype=np.float64) + x267 = np.zeros((naocc, naocc, nocc, nvir), dtype=types[float]) x267 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oOvv, (2, 3, 4, 1), (0, 3, 2, 4)) * -1.0 - x268 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x268 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) x268 += einsum(t1[np.ix_(so,sv)], (0, 1), x267, (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 - x269 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x269 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x269 += einsum(x268, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x268 t3new += einsum(x269, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x269, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 del x269 - x270 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x270 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x270 += einsum(x267, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) * -1.0 del x267 - x271 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x271 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x271 += einsum(t1[np.ix_(so,sv)], (0, 1), x270, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x270 t3new += einsum(x271, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x271, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x271 - x272 = np.zeros((naocc, nvir), dtype=np.float64) + x272 = np.zeros((naocc, nvir), dtype=types[float]) x272 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvv, (0, 2, 3, 1), (2, 3)) * -1.0 - x273 = np.zeros((naocc, naocc), dtype=np.float64) + x273 = np.zeros((naocc, naocc), dtype=types[float]) x273 += einsum(t1[np.ix_(sO,sv)], (0, 1), x272, (2, 1), (0, 2)) del x272 t3new += einsum(x273, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -1.0 del x273 - x274 = np.zeros((naocc, naocc, navir, nocc), dtype=np.float64) + x274 = np.zeros((naocc, naocc, navir, nocc), dtype=types[float]) x274 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oOvV, (2, 3, 1, 4), (0, 3, 4, 2)) - x275 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x275 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) x275 += einsum(t1[np.ix_(so,sV)], (0, 1), x274, (2, 3, 4, 0), (2, 3, 1, 4)) del x274 t3new += einsum(x275, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -1.0 del x275 - x276 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x276 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x276 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x47, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x47 t3new += einsum(x276, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) @@ -1262,28 +1262,28 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x276, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 t3new += einsum(x276, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x276 - x277 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x277 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x277 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oovv, (4, 0, 5, 2), (1, 3, 4, 5)) - x278 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x278 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x278 += einsum(t1[np.ix_(so,sv)], (0, 1), x277, (2, 3, 4, 1), (2, 3, 0, 4)) - x279 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x279 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x279 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x278, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 del x278 t3new += einsum(x279, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x279, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x279 - x280 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x280 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x280 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oovv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x281 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x281 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) x281 += einsum(t1[np.ix_(so,sv)], (0, 1), x280, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 6, 5)) * -1.0 - x282 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x282 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x282 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x281, (4, 5, 6, 7, 0, 1), (4, 5, 6, 7, 2, 3)) t3new += einsum(x282, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 t3new += einsum(x282, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 del x282 - x283 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x283 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x283 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x3, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 - x284 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x284 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x284 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x283, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) del x283 t3new += einsum(x284, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 @@ -1291,20 +1291,20 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x284, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x284, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 del x284 - x285 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x285 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x285 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovv, (4, 1, 5, 2), (3, 0, 4, 5)) * -1.0 - x286 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x286 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x286 += einsum(t1[np.ix_(so,sv)], (0, 1), x285, (2, 3, 4, 1), (2, 0, 3, 4)) - x287 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x287 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x287 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x286, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x286 t3new += einsum(x287, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x287, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x287 - x288 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x288 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x288 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x3, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 del x3 - x289 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x289 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x289 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x288, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) del x288 t3new += einsum(x289, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 @@ -1312,10 +1312,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x289, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 t3new += einsum(x289, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 0.5 del x289 - x290 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x290 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x290 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x280, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) * -1.0 del x280 - x291 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x291 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x291 += einsum(t1[np.ix_(so,sv)], (0, 1), x290, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x290 t3new += einsum(x291, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) @@ -1323,30 +1323,30 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x291, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 t3new += einsum(x291, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x291 - x292 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x292 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x292 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x277, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 del x277 - x293 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x293 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x293 += einsum(t1[np.ix_(so,sv)], (0, 1), x292, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x292 t3new += einsum(x293, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x293, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x293 - x294 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x294 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x294 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x41, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) * -1.0 del x41 - x295 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x295 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x295 += einsum(t1[np.ix_(so,sv)], (0, 1), x294, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x294 t3new += einsum(x295, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 t3new += einsum(x295, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 del x295 - x296 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) + x296 = np.zeros((naocc, nocc, nocc, nocc), dtype=types[float]) x296 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 5, 2, 3), (1, 0, 4, 5)) * -1.0 - x297 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x297 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x297 += einsum(t1[np.ix_(so,sv)], (0, 1), x296, (2, 3, 4, 0), (2, 3, 4, 1)) del x296 - x298 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x298 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x298 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x297, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) del x297 t3new += einsum(x298, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 @@ -1354,10 +1354,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x298, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 t3new += einsum(x298, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 del x298 - x299 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x299 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x299 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x285, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 del x285 - x300 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x300 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x300 += einsum(t1[np.ix_(so,sv)], (0, 1), x299, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x299 t3new += einsum(x300, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 @@ -1365,34 +1365,34 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x300, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x300, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x300 - x301 = np.zeros((naocc, nocc, nvir, nvir), dtype=np.float64) + x301 = np.zeros((naocc, nocc, nvir, nvir), dtype=types[float]) x301 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 0, 5, 3), (1, 4, 2, 5)) * -1.0 - x302 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x302 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x302 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x301, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) del x301 - x303 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x303 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x303 += einsum(t1[np.ix_(so,sv)], (0, 1), x302, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x302 t3new += einsum(x303, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x303, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x303 - x304 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x304 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x304 += einsum(x5, (0, 1), t2[np.ix_(so,sO,sv,sV)], (2, 3, 1, 4), (3, 4, 2, 0)) * -1.0 - x305 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x305 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x305 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x304, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 del x304 t3new += einsum(x305, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x305, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x305 - x306 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x306 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x306 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x51, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) * -1.0 del x51 t3new += einsum(x306, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x306, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x306 - x307 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x307 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x307 += einsum(x5, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 4, 1), (3, 2, 0, 4)) - x308 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x308 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x308 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x307, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) del x307 t3new += einsum(x308, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 @@ -1400,16 +1400,16 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x308, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x308, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x308 - x309 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x309 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x309 += einsum(x5, (0, 1), t2[np.ix_(so,so,sv,sV)], (2, 3, 1, 4), (4, 2, 3, 0)) del x5 t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x309, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) del x309 - x310 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x310 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x310 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oovv, (2, 0, 3, 4), (1, 2, 3, 4)) - x311 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x311 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x311 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x310, (4, 1, 3, 5), (4, 0, 2, 5)) - x312 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x312 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x312 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x311, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x311 t3new += einsum(x312, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) @@ -1417,31 +1417,31 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x312 - x313 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x313 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x313 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x310, (4, 5, 2, 3), (1, 4, 0, 5)) * -1.0 - x314 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x314 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x314 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x313, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 del x313 t3new += einsum(x314, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 t3new += einsum(x314, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 del x314 - x315 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x315 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x315 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x310, (4, 0, 3, 5), (1, 4, 2, 5)) * -1.0 - x316 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x316 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x316 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x315, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 del x315 t3new += einsum(x316, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x316, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x316 - x317 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x317 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x317 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x310, (4, 5, 2, 3), (4, 0, 1, 5)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x317, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -0.5 del x317 - x318 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x318 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x318 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) - x319 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x319 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x319 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x318, (4, 1, 5, 3), (4, 0, 5, 2)) - x320 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x320 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x320 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x319, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x319 t3new += einsum(x320, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) @@ -1449,55 +1449,55 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x320, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x320, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x320 - x321 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x321 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x321 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x318, (4, 1, 5, 2), (4, 3, 0, 5)) * -1.0 - x322 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x322 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x322 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x321, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 del x321 t3new += einsum(x322, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x322, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x322 - x323 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x323 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x323 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x318, (4, 0, 1, 5), (4, 3, 2, 5)) * -1.0 - x324 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x324 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x324 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x323, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 del x323 t3new += einsum(x324, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x324, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 del x324 - x325 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x325 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) x325 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x318, (4, 0, 1, 5), (4, 2, 3, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x325, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * -0.5 del x325 - x326 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x326 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x326 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x46, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) del x46 - x327 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x327 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x327 += einsum(t1[np.ix_(so,sv)], (0, 1), x326, (2, 3, 4, 5, 0, 6), (2, 3, 5, 4, 1, 6)) * -1.0 del x326 t3new += einsum(x327, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x327, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x327 - x328 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x328 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x328 += einsum(t1[np.ix_(so,sv)], (0, 1), x281, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x281 - x329 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x329 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x329 += einsum(t1[np.ix_(so,sv)], (0, 1), x328, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 6, 1)) * -1.0 del x328 t3new += einsum(x329, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x329, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x329 - x330 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x330 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x330 += einsum(t1[np.ix_(so,sv)], (0, 1), x310, (2, 3, 1, 4), (2, 0, 3, 4)) * -1.0 del x310 - x331 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x331 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x331 += einsum(t1[np.ix_(so,sv)], (0, 1), x330, (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x331, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -1.0 del x331 - x332 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x332 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x332 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x330, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) del x330 - x333 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x333 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x333 += einsum(t1[np.ix_(so,sv)], (0, 1), x332, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 del x332 t3new += einsum(x333, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) @@ -1505,12 +1505,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x333, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x333, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x333 - x334 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) + x334 = np.zeros((naocc, nocc, nocc, nocc), dtype=types[float]) x334 += einsum(t1[np.ix_(so,sv)], (0, 1), x318, (2, 3, 4, 1), (2, 0, 4, 3)) - x335 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x335 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x335 += einsum(t1[np.ix_(so,sv)], (0, 1), x334, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 del x334 - x336 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x336 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x336 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x335, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) del x335 t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) @@ -1518,28 +1518,28 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x336 - x337 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x337 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) x337 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x318, (4, 5, 6, 2), (4, 3, 0, 1, 6, 5)) * -1.0 del x318 - x338 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x338 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x338 += einsum(t1[np.ix_(so,sv)], (0, 1), x337, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x337 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x338, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x338 - x339 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x339 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x339 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.oovv, (4, 0, 5, 3), (2, 1, 4, 5)) - x340 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x340 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x340 += einsum(t1[np.ix_(so,sv)], (0, 1), x339, (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 - x341 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x341 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x341 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x340, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 del x340 t3new += einsum(x341, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x341, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x341 - x342 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x342 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x342 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x339, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 del x339 - x343 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x343 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x343 += einsum(t1[np.ix_(so,sv)], (0, 1), x342, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 del x342 t3new += einsum(x343, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 diff --git a/ebcc/codegen/RCCSDt.py b/ebcc/codegen/RCCSDt.py index e1885f7b..5ce95241 100644 --- a/ebcc/codegen/RCCSDt.py +++ b/ebcc/codegen/RCCSDt.py @@ -6,12 +6,12 @@ def energy(f=None, v=None, nocc=None, nvir=None, t1=None, t2=None, t3=None, **kwargs): # energy - x0 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x0 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x0 += einsum(v.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) * -0.5 x0 += einsum(v.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) e_cc = 0 e_cc += einsum(t2, (0, 1, 2, 3), x0, (0, 1, 2, 3), ()) * 2.0 - x1 = np.zeros((nocc, nvir), dtype=np.float64) + x1 = np.zeros((nocc, nvir), dtype=types[float]) x1 += einsum(f.ov, (0, 1), (0, 1)) x1 += einsum(t1, (0, 1), x0, (0, 2, 1, 3), (2, 3)) del x0 @@ -33,7 +33,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) sVf = np.ones((navir,), dtype=bool) # T amplitudes - t1new = np.zeros((nocc, nvir), dtype=np.float64) + t1new = np.zeros((nocc, nvir), dtype=types[float]) t1new[np.ix_(so,sv)] += einsum(f.ov, (0, 1), (0, 1)) t1new[np.ix_(so,sv)] += einsum(f.oo, (0, 1), t1[np.ix_(so,sv)], (1, 2), (0, 2)) * -1.0 t1new[np.ix_(so,sv)] += einsum(f.vv, (0, 1), t1[np.ix_(so,sv)], (2, 1), (2, 0)) @@ -48,11 +48,11 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 2, 5, 1, 3), (4, 5)) t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 4, 2, 1, 5, 3), (4, 5)) * 0.25 t1new[np.ix_(so,sv)] += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 4, 3, 2, 5, 1), (4, 5)) * -0.25 - t2new = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + t2new = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) t2new[np.ix_(so,so,sv,sv)] += einsum(v.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oooo, (4, 1, 5, 0), (4, 5, 3, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.vvvv, (4, 2, 5, 3), (0, 1, 4, 5)) - t3new = np.zeros((nocc, nocc, naocc, nvir, nvir, navir), dtype=np.float64) + t3new = np.zeros((nocc, nocc, naocc, nvir, nvir, navir), dtype=types[float]) t3new += einsum(f.oo, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -1.0 t3new += einsum(f.oo, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -1.0 t3new += einsum(f.OO, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -1.0 @@ -93,3025 +93,3025 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new += einsum(v.vOOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 2, 6, 7, 3), (5, 4, 1, 0, 6, 7)) * -1.0 t3new += einsum(v.oVOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 7, 6, 1)) * -1.0 t3new += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 1, 6, 7)) - x0 = np.zeros((nocc, nvir), dtype=np.float64) + x0 = np.zeros((nocc, nvir), dtype=types[float]) x0 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 3, 0, 1), (2, 3)) t1new[np.ix_(so,sv)] += einsum(x0, (0, 1), (0, 1)) * 2.0 t1new[np.ix_(so,sv)] += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 1), (2, 3)) * 4.0 t1new[np.ix_(so,sv)] += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 1, 3), (2, 3)) * -2.0 - x1 = np.zeros((nocc, nvir), dtype=np.float64) + x1 = np.zeros((nocc, nvir), dtype=types[float]) x1 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 1, 0, 2), (4, 3)) t1new[np.ix_(so,sv)] += einsum(x1, (0, 1), (0, 1)) * -1.5 t1new[np.ix_(so,sv)] += einsum(x1, (0, 1), (0, 1)) * -0.5 del x1 - x2 = np.zeros((nocc, nvir), dtype=np.float64) + x2 = np.zeros((nocc, nvir), dtype=types[float]) x2 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 1, 2), (4, 3)) t1new[np.ix_(so,sv)] += einsum(x2, (0, 1), (0, 1)) * 0.5 t1new[np.ix_(so,sv)] += einsum(x2, (0, 1), (0, 1)) * 0.5 del x2 - x3 = np.zeros((nocc, nvir), dtype=np.float64) + x3 = np.zeros((nocc, nvir), dtype=types[float]) x3 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvv, (1, 3, 4, 2), (0, 4)) t1new[np.ix_(so,sv)] += einsum(x3, (0, 1), (0, 1)) t1new[np.ix_(so,sv)] += einsum(x3, (0, 1), (0, 1)) del x3 - x4 = np.zeros((nocc, nocc), dtype=np.float64) + x4 = np.zeros((nocc, nocc), dtype=types[float]) x4 += einsum(f.ov, (0, 1), t1[np.ix_(so,sv)], (2, 1), (0, 2)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x4, (0, 2), (2, 1)) * -1.0 t3new += einsum(x4, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 2, 3, 4, 5, 6), (1, 2, 3, 4, 5, 6)) * -1.0 t3new += einsum(x4, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 0, 3, 4, 5, 6), (2, 1, 3, 4, 5, 6)) * -1.0 - x5 = np.zeros((nocc, nocc), dtype=np.float64) + x5 = np.zeros((nocc, nocc), dtype=types[float]) x5 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 0, 3, 1), (2, 3)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x5, (2, 0), (2, 1)) t3new += einsum(x5, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) t3new += einsum(x5, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) - x6 = np.zeros((nocc, nocc), dtype=np.float64) + x6 = np.zeros((nocc, nocc), dtype=types[float]) x6 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 3, 0, 1), (2, 3)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x6, (2, 0), (2, 1)) * -2.0 t3new += einsum(x6, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 t3new += einsum(x6, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - x7 = np.zeros((nvir, nvir), dtype=np.float64) + x7 = np.zeros((nvir, nvir), dtype=types[float]) x7 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (0, 2, 3, 1), (2, 3)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x7, (1, 2), (0, 2)) * -1.0 t3new += einsum(x7, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 0, 5, 6), (2, 3, 4, 1, 5, 6)) * -1.0 t3new += einsum(x7, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 - x8 = np.zeros((nvir, nvir), dtype=np.float64) + x8 = np.zeros((nvir, nvir), dtype=types[float]) x8 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (0, 1, 2, 3), (2, 3)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x8, (2, 1), (0, 2)) * 2.0 t3new += einsum(x8, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 t3new += einsum(x8, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 - x9 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x9 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x9 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x9, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) - x10 = np.zeros((nocc, nvir), dtype=np.float64) + x10 = np.zeros((nocc, nvir), dtype=types[float]) x10 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 0, 1, 2), (4, 3)) t1new[np.ix_(so,sv)] += einsum(x10, (0, 1), (0, 1)) * -1.5 t1new[np.ix_(so,sv)] += einsum(x10, (0, 1), (0, 1)) * -0.5 del x10 - x11 = np.zeros((nocc, nvir), dtype=np.float64) + x11 = np.zeros((nocc, nvir), dtype=types[float]) x11 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 0, 1, 3), (4, 2)) t1new[np.ix_(so,sv)] += einsum(x11, (0, 1), (0, 1)) * 0.5 t1new[np.ix_(so,sv)] += einsum(x11, (0, 1), (0, 1)) * 0.5 del x11 - x12 = np.zeros((nocc, nocc), dtype=np.float64) + x12 = np.zeros((nocc, nocc), dtype=types[float]) x12 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 2, 1, 3), (0, 4)) t3new += einsum(x12, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - x13 = np.zeros((nocc, nvir), dtype=np.float64) + x13 = np.zeros((nocc, nvir), dtype=types[float]) x13 += einsum(t1[np.ix_(so,sv)], (0, 1), x12, (2, 0), (2, 1)) t1new[np.ix_(so,sv)] += einsum(x13, (0, 1), (0, 1)) * -1.0 t1new[np.ix_(so,sv)] += einsum(x13, (0, 1), (0, 1)) * -1.0 del x13 - x14 = np.zeros((nocc, nocc), dtype=np.float64) + x14 = np.zeros((nocc, nocc), dtype=types[float]) x14 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 1, 2), (0, 4)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x14, (2, 0), (2, 1)) t3new += einsum(x14, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) t3new += einsum(x14, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) - x15 = np.zeros((nocc, nvir), dtype=np.float64) + x15 = np.zeros((nocc, nvir), dtype=types[float]) x15 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 1, 0, 3), (2, 3)) t1new[np.ix_(so,sv)] += einsum(x15, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 1), (2, 3)) * -2.0 t1new[np.ix_(so,sv)] += einsum(x15, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 1, 3), (2, 3)) - x16 = np.zeros((nocc, nocc), dtype=np.float64) + x16 = np.zeros((nocc, nocc), dtype=types[float]) x16 += einsum(t1[np.ix_(so,sv)], (0, 1), x15, (2, 1), (0, 2)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x16, (2, 0), (2, 1)) t3new += einsum(x16, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) t3new += einsum(x16, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) - x17 = np.zeros((nocc, nocc), dtype=np.float64) + x17 = np.zeros((nocc, nocc), dtype=types[float]) x17 += einsum(t1[np.ix_(so,sv)], (0, 1), x0, (2, 1), (0, 2)) t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x17, (2, 0), (2, 1)) * -2.0 t3new += einsum(x17, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 t3new += einsum(x17, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - x18 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x18 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x18 += einsum(f.oo, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (0, 2, 3, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x18, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x18, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 del x18 - x19 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x19 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x19 += einsum(f.vv, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 0, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (1, 0, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (0, 1, 3, 2)) del x19 - x20 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x20 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x20 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 0, 3, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x20, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x20, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x20 - x21 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x21 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x21 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x21, (0, 1, 2, 3), (0, 1, 3, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(x21, (0, 1, 2, 3), (1, 0, 2, 3)) t3new += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 2, 6, 7), (0, 4, 5, 3, 6, 7)) t3new += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 2, 6, 7), (4, 0, 5, 6, 3, 7)) * -1.0 t3new += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 2, 7), (4, 0, 5, 6, 3, 7)) * 2.0 - x22 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x22 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x22 += einsum(f.OV, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(x22, (0, 1, 2, 3), (0, 1, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x22, (0, 1, 2, 3), (1, 0, 3, 2)) del x22 - x23 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x23 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x23 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 1, 5, 3), (0, 4, 2, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(x23, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x23, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x23 - x24 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x24 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x24 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 1, 5, 2), (0, 4, 3, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 del x24 - x25 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x25 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x25 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(x25, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x25, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x25, (4, 1, 5, 3), (4, 0, 5, 2)) * 4.0 del x25 - x26 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x26 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x26 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 1, 2), (0, 4, 3, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(x26, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x26, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x26, (4, 1, 5, 2), (4, 0, 5, 3)) - x27 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x27 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x27 += einsum(v.ooOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 2, 5, 6, 3), (4, 0, 5, 6)) t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 del x27 - x28 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x28 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x28 += einsum(v.ooOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 2, 5, 6, 3), (4, 0, 5, 6)) t2new[np.ix_(so,so,sv,sv)] += einsum(x28, (0, 1, 2, 3), (1, 0, 2, 3)) * -0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x28, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 del x28 - x29 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x29 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x29 += einsum(v.oovO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 3, 2, 5, 6), (6, 4, 0, 5)) t2new[np.ix_(so,so,sV,sv)] += einsum(x29, (0, 1, 2, 3), (2, 1, 0, 3)) * 0.5 t2new[np.ix_(so,so,sv,sV)] += einsum(x29, (0, 1, 2, 3), (1, 2, 3, 0)) * 0.5 del x29 - x30 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x30 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x30 += einsum(v.vOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 0, 6, 3), (4, 5, 6, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(x30, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x30, (0, 1, 2, 3), (1, 0, 2, 3)) * -0.5 del x30 - x31 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x31 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x31 += einsum(v.vvOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 1, 6, 3), (4, 5, 6, 0)) t2new[np.ix_(so,so,sv,sv)] += einsum(x31, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x31, (0, 1, 2, 3), (1, 0, 2, 3)) * 0.5 del x31 - x32 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x32 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x32 += einsum(v.vvOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 6, 1, 3), (4, 5, 6, 0)) t2new[np.ix_(so,so,sv,sv)] += einsum(x32, (0, 1, 2, 3), (0, 1, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x32, (0, 1, 2, 3), (1, 0, 3, 2)) del x32 - x33 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x33 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x33 += einsum(x4, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 4), (1, 2, 3, 4)) del x4 t2new[np.ix_(so,so,sv,sv)] += einsum(x33, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x33, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 del x33 - x34 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x34 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x34 += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (0, 2, 3, 4)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x34, (0, 4, 5, 6), (5, 4, 1, 3, 6, 2)) - x35 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x35 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x35 += einsum(t1[np.ix_(so,sv)], (0, 1), x34, (0, 2, 3, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x35, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x35, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x35 - x36 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x36 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x36 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x36, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) - x37 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x37 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x37 += einsum(t1[np.ix_(so,sv)], (0, 1), x36, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x37, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x37, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 del x37 - x38 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x38 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x38 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooo, (2, 3, 4, 0), (2, 3, 4, 1)) t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x38, (2, 0, 3, 4), (2, 3, 1, 4)) del x38 - x39 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x39 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x39 += einsum(t1[np.ix_(so,sv)], (0, 1), x9, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x39, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x39, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x39 - x40 = np.zeros((nocc, nvir, nvir, nvir), dtype=np.float64) + x40 = np.zeros((nocc, nvir, nvir, nvir), dtype=types[float]) x40 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x40, (2, 3, 1, 4), (0, 2, 3, 4)) del x40 - x41 = np.zeros((nocc, nocc, nocc, nocc), dtype=np.float64) + x41 = np.zeros((nocc, nocc, nocc, nocc), dtype=types[float]) x41 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) t3new += einsum(x41, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 2, 4, 5, 6, 7), (0, 1, 4, 5, 6, 7)) t3new += einsum(x41, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) - x42 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x42 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x42 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x41, (4, 5, 0, 1), (4, 5, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x42, (0, 1, 2, 3), (0, 1, 3, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(x42, (0, 1, 2, 3), (1, 0, 2, 3)) del x42 - x43 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x43 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x43 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 1, 5, 2), (0, 4, 5, 3)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x43, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * -1.0 - x44 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x44 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x44 += einsum(t1[np.ix_(so,sv)], (0, 1), x43, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x44, (0, 1, 2, 3), (0, 1, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x44, (0, 1, 2, 3), (1, 0, 3, 2)) del x44 - x45 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x45 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x45 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x45, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * 2.0 - x46 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x46 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x46 += einsum(t1[np.ix_(so,sv)], (0, 1), x45, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x46, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x46, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 del x46 - x47 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x47 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x47 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 1, 2), (0, 4, 5, 3)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x47, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * -1.0 - x48 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x48 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x48 += einsum(t1[np.ix_(so,sv)], (0, 1), x47, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (1, 0, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (0, 1, 3, 2)) del x48 - x49 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x49 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x49 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x49, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * -1.0 - x50 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x50 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x50 += einsum(t1[np.ix_(so,sv)], (0, 1), x49, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x50, (0, 1, 2, 3), (1, 0, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x50, (0, 1, 2, 3), (0, 1, 3, 2)) del x50 - x51 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x51 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x51 += einsum(x5, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (2, 0, 3, 4)) del x5 t2new[np.ix_(so,so,sv,sv)] += einsum(x51, (0, 1, 2, 3), (0, 1, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x51, (0, 1, 2, 3), (1, 0, 3, 2)) del x51 - x52 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x52 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x52 += einsum(x6, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (2, 0, 3, 4)) del x6 t2new[np.ix_(so,so,sv,sv)] += einsum(x52, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x52, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x52 - x53 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x53 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x53 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -1.0 t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -1.0 t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -1.0 t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -1.0 - x54 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x54 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x54 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x53, (4, 1, 5, 3), (4, 0, 2, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(x54, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x54, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 del x54 - x55 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x55 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x55 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x53, (4, 1, 5, 2), (4, 0, 3, 5)) del x53 t2new[np.ix_(so,so,sv,sv)] += einsum(x55, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x55, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x55 - x56 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x56 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x56 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x21, (4, 1, 3, 5), (4, 0, 2, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(x56, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x56, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 del x56 - x57 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x57 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x57 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x21, (4, 1, 2, 5), (4, 0, 3, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(x57, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x57, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 del x57 - x58 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x58 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x58 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvv, (4, 2, 5, 3), (0, 1, 4, 5)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x58, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) - x59 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x59 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x59 += einsum(t1[np.ix_(so,sv)], (0, 1), x58, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x59, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x59, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x59 - x60 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x60 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x60 += einsum(x8, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 4, 0)) del x8 t2new[np.ix_(so,so,sv,sv)] += einsum(x60, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x60, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x60 - x61 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x61 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x61 += einsum(x7, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 0), (2, 3, 4, 1)) del x7 t2new[np.ix_(so,so,sv,sv)] += einsum(x61, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x61, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x61 - x62 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x62 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x62 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(x62, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 0, 5, 6, 1), (2, 4, 6, 5)) * -1.0 - x63 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x63 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x63 += einsum(x62, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) t2new[np.ix_(so,so,sv,sv)] += einsum(x63, (0, 1, 2, 3), (0, 1, 2, 3)) * -0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x63, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 del x63 - x64 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x64 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x64 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvO, (2, 3, 1, 4), (4, 3, 0, 2)) - x65 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x65 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x65 += einsum(x64, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) del x64 t2new[np.ix_(so,so,sv,sv)] += einsum(x65, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x65, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 del x65 - x66 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x66 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x66 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(x66, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 0, 5, 6, 1), (4, 2, 5, 6)) * -1.0 del x66 - x67 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x67 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x67 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 1, 6, 3), (4, 5, 0, 6)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x67, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * 0.5 - x68 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x68 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x68 += einsum(t1[np.ix_(so,sv)], (0, 1), x67, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x68, (0, 1, 2, 3), (0, 1, 2, 3)) * -0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x68, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 del x68 - x69 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x69 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x69 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 2, 6, 1), (4, 5, 0, 6)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x69, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * -0.5 - x70 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x70 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x70 += einsum(t1[np.ix_(so,sv)], (0, 1), x69, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x70, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x70, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 del x70 - x71 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x71 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x71 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 6, 1, 3), (4, 5, 0, 6)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x71, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) - x72 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x72 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x72 += einsum(t1[np.ix_(so,sv)], (0, 1), x71, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x72, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x72, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x72 - x73 = np.zeros((naocc, navir), dtype=np.float64) + x73 = np.zeros((naocc, navir), dtype=types[float]) x73 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOV, (0, 1, 2, 3), (2, 3)) - x74 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x74 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x74 += einsum(x73, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) del x73 t2new[np.ix_(so,so,sv,sv)] += einsum(x74, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x74, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x74 - x75 = np.zeros((naocc, navir), dtype=np.float64) + x75 = np.zeros((naocc, navir), dtype=types[float]) x75 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvO, (0, 2, 1, 3), (3, 2)) - x76 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x76 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x76 += einsum(x75, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) del x75 t2new[np.ix_(so,so,sv,sv)] += einsum(x76, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x76, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x76 - x77 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x77 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x77 += einsum(x14, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (2, 0, 3, 4)) del x14 t2new[np.ix_(so,so,sv,sv)] += einsum(x77, (0, 1, 2, 3), (0, 1, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x77, (0, 1, 2, 3), (1, 0, 3, 2)) del x77 - x78 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x78 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x78 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x26, (4, 1, 5, 3), (0, 4, 2, 5)) del x26 t2new[np.ix_(so,so,sv,sv)] += einsum(x78, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x78, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x78 - x79 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x79 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x79 += einsum(x12, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (2, 0, 3, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x79, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x79, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x79, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x79 - x80 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x80 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x80 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x80, (4, 1, 5, 3), (4, 0, 5, 2)) * -2.0 del x80 - x81 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x81 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x81 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 2, 1, 5), (0, 4, 3, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x81, (4, 1, 5, 2), (4, 0, 3, 5)) - x82 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x82 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x82 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x81, (4, 1, 5, 3), (0, 4, 2, 5)) del x81 t2new[np.ix_(so,so,sv,sv)] += einsum(x82, (0, 1, 2, 3), (0, 1, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x82, (0, 1, 2, 3), (1, 0, 3, 2)) del x82 - x83 = np.zeros((nvir, nvir), dtype=np.float64) + x83 = np.zeros((nvir, nvir), dtype=types[float]) x83 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (0, 2, 1, 4), (3, 4)) - x84 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x84 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x84 += einsum(x83, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 4, 0)) t2new[np.ix_(so,so,sv,sv)] += einsum(x84, (0, 1, 2, 3), (0, 1, 2, 3)) * -0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x84, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x84, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x84, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 del x84 - x85 = np.zeros((nvir, nvir), dtype=np.float64) + x85 = np.zeros((nvir, nvir), dtype=types[float]) x85 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (0, 4, 1, 2), (3, 4)) - x86 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x86 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x86 += einsum(x85, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 4, 0)) t2new[np.ix_(so,so,sv,sv)] += einsum(x86, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x86, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x86, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 t2new[np.ix_(so,so,sv,sv)] += einsum(x86, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 del x86 - x87 = np.zeros((nocc, nocc, nocc, nocc), dtype=np.float64) + x87 = np.zeros((nocc, nocc, nocc, nocc), dtype=types[float]) x87 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 2, 5, 3), (0, 1, 4, 5)) t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x87, (4, 5, 0, 1), (5, 4, 3, 2)) t3new += einsum(x87, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 7), (0, 1, 4, 5, 6, 7)) - x88 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x88 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x88 += einsum(t1[np.ix_(so,sv)], (0, 1), x41, (2, 3, 4, 0), (2, 4, 3, 1)) - x89 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x89 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x89 += einsum(t1[np.ix_(so,sv)], (0, 1), x88, (2, 0, 3, 4), (2, 3, 1, 4)) del x88 t2new[np.ix_(so,so,sv,sv)] += einsum(x89, (0, 1, 2, 3), (0, 1, 3, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(x89, (0, 1, 2, 3), (1, 0, 2, 3)) del x89 - x90 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x90 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x90 += einsum(t1[np.ix_(so,sv)], (0, 1), x21, (2, 3, 1, 4), (0, 2, 3, 4)) del x21 t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x90, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) - x91 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x91 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x91 += einsum(t1[np.ix_(so,sv)], (0, 1), x90, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x91, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x91, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x91 - x92 = np.zeros((nocc, nocc, nocc, nocc), dtype=np.float64) + x92 = np.zeros((nocc, nocc, nocc, nocc), dtype=types[float]) x92 += einsum(t1[np.ix_(so,sv)], (0, 1), x9, (2, 3, 4, 1), (2, 0, 4, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x92, (4, 5, 0, 1), (5, 4, 3, 2)) t3new += einsum(x92, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 2, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) - x93 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x93 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x93 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 1, 5, 3), (4, 0, 5, 2)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x93, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * 2.0 - x94 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x94 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x94 += einsum(t1[np.ix_(so,sv)], (0, 1), x93, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x94, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x94, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x94 - x95 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x95 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x95 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 1, 5, 2), (4, 0, 5, 3)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x95, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * -1.0 - x96 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x96 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x96 += einsum(t1[np.ix_(so,sv)], (0, 1), x95, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x96, (0, 1, 2, 3), (0, 1, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x96, (0, 1, 2, 3), (1, 0, 3, 2)) del x96 - x97 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x97 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x97 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 5, 1, 3), (4, 0, 5, 2)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x97, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * -1.0 - x98 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x98 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x98 += einsum(t1[np.ix_(so,sv)], (0, 1), x97, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x98, (0, 1, 2, 3), (0, 1, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x98, (0, 1, 2, 3), (1, 0, 3, 2)) del x98 - x99 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x99 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x99 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 5, 1, 2), (4, 0, 5, 3)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x99, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * -1.0 - x100 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x100 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x100 += einsum(t1[np.ix_(so,sv)], (0, 1), x99, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x100, (0, 1, 2, 3), (0, 1, 3, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(x100, (0, 1, 2, 3), (1, 0, 2, 3)) del x100 - x101 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x101 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x101 += einsum(x16, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (0, 2, 3, 4)) del x16 t2new[np.ix_(so,so,sv,sv)] += einsum(x101, (0, 1, 2, 3), (0, 1, 3, 2)) t2new[np.ix_(so,so,sv,sv)] += einsum(x101, (0, 1, 2, 3), (1, 0, 2, 3)) del x101 - x102 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x102 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x102 += einsum(x17, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (0, 2, 3, 4)) del x17 t2new[np.ix_(so,so,sv,sv)] += einsum(x102, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x102, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 del x102 - x103 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x103 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x103 += einsum(t1[np.ix_(so,sv)], (0, 1), x87, (2, 3, 4, 0), (2, 3, 4, 1)) t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x103, (2, 3, 0, 4), (2, 3, 1, 4)) del x103 - x104 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x104 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x104 += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 0, 4)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x104, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * 2.0 - x105 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x105 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x105 += einsum(t1[np.ix_(so,sv)], (0, 1), x104, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x105, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 t2new[np.ix_(so,so,sv,sv)] += einsum(x105, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 del x105 - x106 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x106 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x106 += einsum(x15, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 0, 4)) t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x106, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * -1.0 - x107 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + x107 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) x107 += einsum(t1[np.ix_(so,sv)], (0, 1), x106, (2, 3, 0, 4), (2, 3, 1, 4)) t2new[np.ix_(so,so,sv,sv)] += einsum(x107, (0, 1, 2, 3), (1, 0, 2, 3)) t2new[np.ix_(so,so,sv,sv)] += einsum(x107, (0, 1, 2, 3), (0, 1, 3, 2)) del x107 - x108 = np.zeros((nocc, nocc, nocc, nvir), dtype=np.float64) + x108 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) x108 += einsum(t1[np.ix_(so,sv)], (0, 1), x92, (2, 3, 0, 4), (3, 2, 4, 1)) t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x108, (2, 3, 0, 4), (2, 3, 1, 4)) del x108 - x109 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x109 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x109 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooOV, (4, 1, 5, 6), (5, 6, 0, 4, 2, 3)) t3new += einsum(x109, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x109, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x109 - x110 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x110 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x110 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (4, 5, 1, 6), (6, 3, 0, 4, 2, 5)) t3new += einsum(x110, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x110, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x110 - x111 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x111 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x111 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 6), (1, 3, 4, 5, 2, 6)) t3new += einsum(x111, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x111, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x111 - x112 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x112 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x112 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (4, 5, 3, 6), (1, 6, 0, 4, 2, 5)) t3new += einsum(x112, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x112, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x112 - x113 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x113 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x113 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) t3new += einsum(x113, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x113, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - x114 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x114 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x114 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.vvOV, (4, 3, 5, 6), (5, 6, 0, 1, 2, 4)) t3new += einsum(x114, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x114, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x114 - x115 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x115 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x115 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovvv, (4, 5, 6, 3), (1, 2, 0, 4, 5, 6)) t3new += einsum(x115, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x115, (4, 5, 6, 1, 3, 7), (6, 0, 4, 7, 2, 5)) * -2.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x115, (4, 5, 6, 1, 2, 7), (6, 0, 4, 7, 3, 5)) - x116 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x116 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x116 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) t3new += einsum(x116, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x116, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * 2.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x116, (4, 5, 6, 1, 7, 2), (0, 6, 4, 3, 7, 5)) * -1.0 del x116 - x117 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x117 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x117 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) t3new += einsum(x117, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x117, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 4.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x117, (4, 5, 6, 1, 7, 2), (6, 0, 4, 7, 3, 5)) * -2.0 del x117 - x118 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x118 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x118 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) t3new += einsum(x118, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x118, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -2.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x118, (4, 5, 6, 1, 7, 2), (6, 0, 4, 7, 3, 5)) del x118 - x119 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x119 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x119 += einsum(v.OVOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 6, 7, 3), (0, 1, 4, 5, 6, 7)) t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x119 - x120 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x120 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x120 += einsum(f.ov, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (4, 6, 0, 2, 3, 5)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x120, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x120 - x121 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x121 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x121 += einsum(f.ov, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x121, (2, 3, 0, 4, 5, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x121 - x122 = np.zeros((navir, navir), dtype=np.float64) + x122 = np.zeros((navir, navir), dtype=types[float]) x122 += einsum(f.oV, (0, 1), t1[np.ix_(so,sV)], (0, 2), (1, 2)) t3new += einsum(x122, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -1.0 del x122 - x123 = np.zeros((naocc, naocc), dtype=np.float64) + x123 = np.zeros((naocc, naocc), dtype=types[float]) x123 += einsum(f.vO, (0, 1), t1[np.ix_(sO,sv)], (2, 0), (1, 2)) t3new += einsum(x123, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -1.0 del x123 - x124 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x124 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x124 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sv,sV)], (2, 3, 1, 4), (3, 4, 0, 2)) - x125 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x125 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x125 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x124, (4, 5, 1, 6), (4, 5, 6, 0, 2, 3)) del x124 t3new += einsum(x125, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x125, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x125 - x126 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x126 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x126 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x34, (0, 4, 5, 6), (1, 3, 4, 5, 2, 6)) del x34 t3new += einsum(x126, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x126, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 del x126 - x127 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x127 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x127 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 4, 1), (3, 0, 2, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x127, (4, 0, 5, 6), (1, 5, 4, 2, 6, 3)) - x128 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x128 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x128 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x127, (4, 1, 5, 6), (4, 3, 5, 0, 6, 2)) del x127 t3new += einsum(x128, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 t3new += einsum(x128, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x128 - x129 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x129 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x129 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 1, 4), (3, 0, 2, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x129, (4, 1, 5, 6), (5, 0, 4, 6, 2, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x129, (4, 0, 5, 6), (1, 5, 4, 6, 2, 3)) del x129 - x130 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x130 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x130 += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sV)], (2, 3, 1, 4), (4, 0, 3, 2)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x130, (4, 0, 5, 6), (5, 6, 1, 3, 2, 4)) del x130 - x131 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x131 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x131 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sV,sv)], (2, 3, 4, 1), (3, 4, 0, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x131, (4, 5, 1, 6), (6, 0, 4, 3, 2, 5)) del x131 - x132 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x132 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x132 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooO, (2, 0, 3, 4), (4, 3, 2, 1)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x132, (4, 0, 5, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x133 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x133 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x133 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x132, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) del x132 t3new += einsum(x133, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x133, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x133 - x134 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x134 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x134 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooO, (2, 3, 0, 4), (4, 2, 3, 1)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x134, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x134, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x134 - x135 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x135 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x135 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvO, (2, 1, 3, 4), (4, 0, 2, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x135, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x135, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) del x135 - x136 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x136 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x136 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x62, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) t3new += einsum(x136, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x136, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 del x136 - x137 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x137 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x137 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvO, (4, 2, 5, 6), (6, 3, 1, 0, 4, 5)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x137, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x137 - x138 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x138 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x138 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovOV, (4, 3, 5, 6), (5, 6, 0, 1, 4, 2)) - x139 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x139 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x139 += einsum(t1[np.ix_(so,sv)], (0, 1), x138, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) t3new += einsum(x139, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x139, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x139 - x140 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x140 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x140 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvV, (2, 3, 1, 4), (3, 4, 0, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x140, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) del x140 - x141 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x141 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x141 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvv, (2, 3, 4, 1), (3, 0, 2, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x141, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) - x142 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x142 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x142 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x141, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) del x141 t3new += einsum(x142, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x142, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 del x142 - x143 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x143 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x143 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oOvV, (4, 5, 3, 6), (5, 6, 0, 1, 4, 2)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x143, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x143 - x144 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x144 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x144 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oOvv, (4, 5, 6, 2), (5, 3, 1, 0, 4, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x144, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) del x144 - x145 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x145 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x145 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovV, (2, 3, 1, 4), (4, 0, 2, 3)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x145, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) del x145 - x146 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x146 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x146 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x36, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x36 t3new += einsum(x146, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x146, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 del x146 - x147 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x147 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x147 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oooo, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) - x148 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x148 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x148 += einsum(t1[np.ix_(so,sv)], (0, 1), x147, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) del x147 t3new += einsum(x148, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x148, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x148 - x149 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x149 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x149 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oovV, (4, 5, 3, 6), (1, 6, 0, 4, 5, 2)) - x150 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x150 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x150 += einsum(t1[np.ix_(so,sv)], (0, 1), x149, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x149 t3new += einsum(x150, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x150, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x150 - x151 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x151 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x151 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oovv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x152 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x152 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x152 += einsum(t1[np.ix_(so,sv)], (0, 1), x151, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x151 t3new += einsum(x152, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x152, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x152 - x153 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x153 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x153 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oovV, (4, 5, 2, 6), (1, 6, 0, 4, 5, 3)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x153, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) del x153 - x154 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x154 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x154 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x9, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) t3new += einsum(x154, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x154, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x154 - x155 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x155 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x155 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovoV, (2, 1, 3, 4), (4, 0, 3, 2)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x155, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) - x156 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x156 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x156 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovoV, (4, 3, 5, 6), (1, 6, 0, 5, 4, 2)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x156, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x156 - x157 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x157 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x157 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 5, 6, 2), (1, 3, 0, 4, 6, 5)) - x158 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x158 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x158 += einsum(t1[np.ix_(so,sv)], (0, 1), x157, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) t3new += einsum(x158, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x158, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x158 - x159 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x159 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x159 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovoV, (4, 2, 5, 6), (1, 6, 0, 5, 4, 3)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x159, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) del x159 - x160 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x160 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x160 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooO, (2, 3, 0, 4), (4, 1, 2, 3)) - x161 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x161 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x161 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x160, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x160 t3new += einsum(x161, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x161, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x161 - x162 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x162 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x162 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooO, (2, 0, 3, 4), (4, 1, 3, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x162, (4, 5, 1, 6), (6, 0, 4, 3, 2, 5)) * -1.0 del x162 - x163 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x163 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x163 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvO, (0, 2, 3, 4), (4, 1, 3, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x163, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) del x163 - x164 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x164 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x164 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oOvv, (0, 2, 3, 4), (2, 1, 3, 4)) - x165 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x165 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x165 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x164, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x164 t3new += einsum(x165, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x165, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x165 - x166 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x166 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x166 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooo, (2, 3, 4, 0), (1, 2, 3, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x166, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 del x166 - x167 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x167 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x167 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oovv, (2, 0, 3, 4), (1, 2, 3, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x167, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x167, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) del x167 - x168 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x168 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x168 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovov, (2, 3, 0, 4), (1, 2, 3, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) - x169 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x169 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x169 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) t3new += einsum(x169, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x169, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x169 - x170 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x170 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x170 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvvV, (2, 1, 3, 4), (4, 0, 3, 2)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x170, (4, 5, 2, 6), (0, 5, 1, 3, 6, 4)) * -1.0 - x171 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x171 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x171 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x170, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) del x170 t3new += einsum(x171, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x171, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x171 - x172 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x172 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x172 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvvV, (2, 3, 1, 4), (4, 0, 2, 3)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x172, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x172, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 del x172 - x173 = np.zeros((naocc, navir, nocc, nvir, nvir, nvir), dtype=np.float64) + x173 = np.zeros((naocc, navir, nocc, nvir, nvir, nvir), dtype=types[float]) x173 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.vvvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x174 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x174 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x174 += einsum(t1[np.ix_(so,sv)], (0, 1), x173, (2, 3, 4, 1, 5, 6), (2, 3, 0, 4, 5, 6)) del x173 t3new += einsum(x174, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x174, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x174 - x175 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x175 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x175 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oovV, (2, 3, 1, 4), (0, 4, 2, 3)) - x176 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x176 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x176 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x175, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x175 t3new += einsum(x176, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x176, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x176 - x177 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x177 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x177 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x177, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x177, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) del x177 - x178 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x178 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x178 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovoV, (2, 1, 3, 4), (0, 4, 3, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x178, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) del x178 - x179 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x179 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x179 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) - x180 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x180 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x180 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) t3new += einsum(x180, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x180, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x180 - x181 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x181 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x181 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvV, (2, 1, 3, 4), (0, 4, 3, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x181, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) * -1.0 del x181 - x182 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x182 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x182 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvV, (2, 3, 1, 4), (0, 4, 2, 3)) - x183 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x183 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x183 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x182, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x182 t3new += einsum(x183, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x183, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x183 - x184 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x184 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) x184 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x184, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -1.0 del x184 - x185 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x185 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x185 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.oooo, (4, 5, 6, 0), (1, 2, 4, 5, 6, 3)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x185, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x185 - x186 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x186 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x186 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.oovv, (4, 5, 6, 3), (1, 2, 0, 4, 5, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x186, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) del x186 - x187 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x187 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x187 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 6, 3), (1, 2, 0, 4, 6, 5)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x187, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) - x188 = np.zeros((naocc, navir, nocc, nvir, nvir, nvir), dtype=np.float64) + x188 = np.zeros((naocc, navir, nocc, nvir, nvir, nvir), dtype=types[float]) x188 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.vvvv, (4, 5, 6, 3), (1, 2, 0, 4, 5, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x188, (2, 3, 4, 1, 5, 6), (4, 0, 2, 6, 5, 3)) * -1.0 del x188 - x189 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x189 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x189 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x189, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x189 - x190 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x190 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x190 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x190, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x190 - x191 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x191 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x191 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x191, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) del x191 - x192 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x192 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x192 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x192, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) del x192 - x193 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x193 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x193 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x193, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) del x193 - x194 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x194 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x194 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x194, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x194 - x195 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x195 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x195 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x195, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x195 - x196 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x196 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) x196 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOO, (2, 1, 3, 4), (3, 4, 0, 2)) t3new += einsum(x196, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 t3new += einsum(x196, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) del x196 - x197 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x197 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) x197 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvO, (2, 3, 1, 4), (3, 4, 0, 2)) t3new += einsum(x197, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 del x197 - x198 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x198 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) x198 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovVV, (2, 1, 3, 4), (3, 4, 0, 2)) t3new += einsum(x198, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 t3new += einsum(x198, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -1.0 del x198 - x199 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x199 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) x199 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvV, (2, 3, 1, 4), (3, 4, 0, 2)) t3new += einsum(x199, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 0), (2, 4, 5, 6, 7, 1)) del x199 - x200 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x200 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x200 += einsum(v.ovOO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 1, 6, 7), (2, 7, 4, 5, 0, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x200, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) del x200 - x201 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x201 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x201 += einsum(v.oOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 2, 6, 7), (1, 7, 4, 5, 0, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x201, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x201 - x202 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x202 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x202 += einsum(v.ovOO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 0, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x202, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x202 - x203 = np.zeros((naocc, naocc), dtype=np.float64) + x203 = np.zeros((naocc, naocc), dtype=types[float]) x203 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOO, (0, 1, 2, 3), (2, 3)) t3new += einsum(x203, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 del x203 - x204 = np.zeros((naocc, naocc), dtype=np.float64) + x204 = np.zeros((naocc, naocc), dtype=types[float]) x204 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvO, (0, 2, 1, 3), (2, 3)) t3new += einsum(x204, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) del x204 - x205 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x205 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x205 += einsum(v.ovvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x205, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x205 - x206 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x206 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x206 += einsum(v.ovVV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 1, 7, 3), (6, 2, 4, 5, 0, 7)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x206, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -0.5 del x206 - x207 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x207 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x207 += einsum(v.oVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 2, 7, 1), (6, 3, 4, 5, 0, 7)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x207, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 0.5 del x207 - x208 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x208 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x208 += einsum(v.ovvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x208, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x208 - x209 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x209 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x209 += einsum(v.ovVV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 0, 7)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x209, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x209 - x210 = np.zeros((navir, navir), dtype=np.float64) + x210 = np.zeros((navir, navir), dtype=types[float]) x210 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovVV, (0, 1, 2, 3), (2, 3)) t3new += einsum(x210, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 del x210 - x211 = np.zeros((navir, navir), dtype=np.float64) + x211 = np.zeros((navir, navir), dtype=types[float]) x211 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvV, (0, 2, 1, 3), (2, 3)) t3new += einsum(x211, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -1.0 del x211 - x212 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x212 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) x212 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooV, (2, 0, 3, 4), (1, 4, 3, 2)) t3new += einsum(x212, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 6, 7, 1), (3, 4, 5, 6, 7, 0)) * -1.0 del x212 - x213 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x213 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) x213 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooV, (2, 3, 0, 4), (1, 4, 2, 3)) t3new += einsum(x213, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) t3new += einsum(x213, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) del x213 - x214 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x214 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) x214 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oVOO, (0, 2, 3, 4), (3, 4, 1, 2)) t3new += einsum(x214, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) del x214 - x215 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x215 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) x215 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oOOV, (0, 2, 3, 4), (3, 2, 1, 4)) - x216 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x216 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x216 += einsum(x215, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 3), (1, 2, 4, 5, 6, 7)) del x215 t3new += einsum(x216, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x216, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x216 - x217 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) + x217 = np.zeros((navir, navir, nvir, nvir), dtype=types[float]) x217 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oVvv, (0, 2, 3, 4), (1, 2, 3, 4)) t3new += einsum(x217, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * -0.5 t3new += einsum(x217, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -1.0 del x217 - x218 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) + x218 = np.zeros((navir, navir, nvir, nvir), dtype=types[float]) x218 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvV, (0, 2, 3, 4), (1, 4, 3, 2)) t3new += einsum(x218, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 0.5 del x218 - x219 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x219 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) x219 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oovO, (2, 3, 1, 4), (0, 4, 2, 3)) t3new += einsum(x219, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 t3new += einsum(x219, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) del x219 - x220 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x220 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) x220 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovoO, (2, 1, 3, 4), (0, 4, 3, 2)) t3new += einsum(x220, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 del x220 - x221 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) + x221 = np.zeros((naocc, naocc, nvir, nvir), dtype=types[float]) x221 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvO, (2, 3, 1, 4), (0, 4, 2, 3)) t3new += einsum(x221, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -1.0 t3new += einsum(x221, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -1.0 del x221 - x222 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) + x222 = np.zeros((naocc, naocc, nvir, nvir), dtype=types[float]) x222 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvO, (2, 1, 3, 4), (0, 4, 3, 2)) t3new += einsum(x222, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 2, 6, 7), (4, 5, 0, 3, 6, 7)) del x222 - x223 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x223 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) x223 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vOVV, (1, 2, 3, 4), (0, 2, 3, 4)) t3new += einsum(x223, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -1.0 del x223 - x224 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x224 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) x224 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vVOV, (1, 2, 3, 4), (0, 3, 4, 2)) - x225 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x225 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x225 += einsum(x224, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 2), (0, 3, 4, 5, 6, 7)) del x224 t3new += einsum(x225, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x225, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x225 - x226 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x226 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x226 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooV, (2, 0, 3, 4), (4, 3, 2, 1)) t3new += einsum(x226, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 1, 5, 6, 7, 0), (4, 2, 5, 6, 3, 7)) del x226 - x227 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x227 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x227 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvv, (2, 3, 4, 1), (3, 0, 2, 4)) t3new += einsum(x227, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) * -1.0 del x227 - x228 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) + x228 = np.zeros((naocc, naocc, navir, nvir), dtype=types[float]) x228 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOOV, (0, 2, 3, 4), (3, 2, 4, 1)) t3new += einsum(x228, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) del x228 - x229 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) + x229 = np.zeros((naocc, naocc, navir, nvir), dtype=types[float]) x229 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvOV, (2, 1, 3, 4), (0, 3, 4, 2)) t3new += einsum(x229, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -1.0 del x229 - x230 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) + x230 = np.zeros((naocc, navir, navir, nocc), dtype=types[float]) x230 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vVOV, (1, 2, 3, 4), (3, 4, 2, 0)) t3new += einsum(x230, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -1.0 del x230 - x231 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) + x231 = np.zeros((naocc, navir, navir, nocc), dtype=types[float]) x231 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ooOV, (2, 0, 3, 4), (3, 1, 4, 2)) t3new += einsum(x231, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) del x231 - x232 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x232 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x232 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooOV, (2, 0, 3, 4), (3, 4, 2, 1)) t3new += einsum(x232, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 del x232 - x233 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x233 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x233 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvOV, (2, 1, 3, 4), (3, 4, 0, 2)) t3new += einsum(x233, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) del x233 - x234 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x234 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x234 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoO, (1, 3, 4, 5), (5, 0, 4, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x234, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * 2.0 - x235 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x235 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x235 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x234, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) del x234 t3new += einsum(x235, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new += einsum(x235, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x235 - x236 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x236 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x236 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (4, 2, 1, 5), (5, 3, 0, 4)) - x237 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x237 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x237 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x236, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x236 t3new += einsum(x237, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x237, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x237 - x238 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x238 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x238 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoO, (1, 2, 4, 5), (5, 0, 4, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x238, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x239 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x239 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x239 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x238, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) del x238 t3new += einsum(x239, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x239, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x239 - x240 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x240 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x240 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoO, (4, 3, 1, 5), (5, 0, 4, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x240, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x241 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x241 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x241 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x240, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) del x240 t3new += einsum(x241, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x241, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x241 - x242 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x242 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x242 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoO, (4, 2, 1, 5), (5, 0, 4, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x242, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x242, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x242 - x243 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x243 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x243 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (0, 4, 1, 5), (5, 3, 2, 4)) - x244 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x244 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x244 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x243, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x243 t3new += einsum(x244, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 0.5 t3new += einsum(x244, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x244, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 0.5 del x244 - x245 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x245 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x245 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (1, 4, 0, 5), (5, 3, 2, 4)) - x246 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x246 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x246 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x245, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x245 t3new += einsum(x246, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 t3new += einsum(x246, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 del x246 - x247 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x247 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x247 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (1, 2, 4, 5), (5, 3, 0, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x247, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 del x247 - x248 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x248 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x248 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (4, 2, 0, 5), (5, 3, 1, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x248, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 del x248 - x249 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x249 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x249 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (0, 2, 4, 5), (5, 3, 1, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x249, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 del x249 - x250 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x250 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) x250 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoO, (1, 4, 0, 5), (5, 2, 3, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x250, (4, 5, 6, 2), (1, 0, 4, 5, 6, 3)) * -1.0 del x250 - x251 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x251 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x251 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x49, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x49 t3new += einsum(x251, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x251, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x251 - x252 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x252 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x252 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 2), (1, 3, 4, 5)) - x253 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x253 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x253 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x252, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x252 t3new += einsum(x253, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new += einsum(x253, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x253 - x254 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x254 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x254 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x43, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x43 t3new += einsum(x254, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x254, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x254 - x255 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x255 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x255 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x45, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x45 t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 del x255 - x256 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x256 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x256 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 2), (1, 3, 4, 5)) - x257 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x257 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x257 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x256, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x256 t3new += einsum(x257, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x257, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x257 - x258 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x258 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x258 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x47, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x47 t3new += einsum(x258, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x258, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x258 - x259 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x259 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) x259 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x260 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x260 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x260 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x259, (4, 5, 6, 7, 0, 1), (4, 5, 6, 7, 2, 3)) t3new += einsum(x260, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x260, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x260 - x261 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x261 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x261 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 3), (1, 4, 5, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x261, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x262 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x262 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x262 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x261, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) del x261 t3new += einsum(x262, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x262, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x262 - x263 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x263 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x263 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 1, 2), (3, 0, 4, 5)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x263, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * -1.0 del x263 - x264 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x264 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x264 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 2), (1, 4, 5, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x264, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x264, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x264 - x265 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x265 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x265 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 3), (1, 4, 5, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x265, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x265, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x265 - x266 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x266 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x266 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 2), (1, 4, 5, 3)) - x267 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x267 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x267 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x266, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) t3new += einsum(x267, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x267, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x267 - x268 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x268 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x268 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 1, 5, 2), (3, 0, 4, 5)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x268, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 del x268 - x269 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x269 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x269 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 0, 1, 5), (3, 4, 2, 5)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x269, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -1.0 - x270 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x270 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x270 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x269, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) del x269 t3new += einsum(x270, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 t3new += einsum(x270, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x270, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 del x270 - x271 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x271 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x271 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 1, 0, 5), (3, 4, 2, 5)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x271, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 - x272 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x272 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x272 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x271, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) del x271 t3new += einsum(x272, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 t3new += einsum(x272, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 del x272 - x273 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x273 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x273 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x266, (4, 5, 0, 6), (4, 3, 1, 5, 6, 2)) del x266 t3new += einsum(x273, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x273, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x273 - x274 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x274 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x274 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 2), (3, 1, 4, 5)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x274, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * -1.0 del x274 - x275 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x275 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x275 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 2), (3, 1, 4, 5)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x275, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * 2.0 del x275 - x276 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x276 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x276 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvV, (1, 3, 4, 5), (5, 0, 2, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x276, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -2.0 - x277 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x277 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x277 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x276, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) del x276 t3new += einsum(x277, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new += einsum(x277, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x277 - x278 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x278 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x278 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvV, (1, 2, 4, 5), (5, 0, 3, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x278, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) - x279 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x279 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x279 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x278, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) del x278 t3new += einsum(x279, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 t3new += einsum(x279, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x279 - x280 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x280 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x280 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvV, (1, 4, 3, 5), (5, 0, 2, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x280, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) - x281 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x281 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x281 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x280, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) del x280 t3new += einsum(x281, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 t3new += einsum(x281, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x281 - x282 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x282 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x282 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (4, 2, 3, 5), (1, 5, 0, 4)) - x283 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x283 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x283 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x282, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x282 t3new += einsum(x283, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x283, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x283 - x284 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x284 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x284 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvV, (1, 4, 2, 5), (5, 0, 3, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x284, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x284, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) del x284 - x285 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x285 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x285 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (0, 4, 3, 5), (1, 5, 2, 4)) - x286 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x286 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x286 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x285, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x285 t3new += einsum(x286, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x286, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 del x286 - x287 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x287 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x287 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (0, 4, 2, 5), (1, 5, 3, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x287, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) del x287 - x288 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x288 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x288 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (0, 3, 4, 5), (1, 5, 2, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x288, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) del x288 - x289 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x289 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x289 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvV, (4, 3, 2, 5), (5, 0, 1, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x289, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) del x289 - x290 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x290 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x290 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (0, 2, 4, 5), (1, 5, 3, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x290, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -2.0 del x290 - x291 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x291 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x291 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (4, 3, 2, 5), (1, 5, 0, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x291, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) del x291 - x292 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x292 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x292 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x113, (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) t3new += einsum(x292, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new += einsum(x292, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x292 - x293 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x293 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x293 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x113, (4, 5, 6, 1, 2, 7), (4, 5, 6, 0, 3, 7)) t3new += einsum(x293, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x293, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x293 - x294 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x294 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x294 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - x295 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x295 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x295 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x294, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 2, 7)) t3new += einsum(x295, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x295, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x295 - x296 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x296 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x296 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x294, (4, 5, 6, 1, 7, 2), (4, 5, 6, 0, 3, 7)) t3new += einsum(x296, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 t3new += einsum(x296, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x296 - x297 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x297 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x297 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) - x298 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x298 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x298 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x297, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) del x297 t3new += einsum(x298, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x298, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x298 - x299 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x299 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x299 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x58, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x58 t3new += einsum(x299, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x299, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x299 - x300 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x300 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x300 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) - x301 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x301 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x301 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x300, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x300 t3new += einsum(x301, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new += einsum(x301, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x301 - x302 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x302 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x302 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (4, 3, 5, 2), (1, 0, 4, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x302, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) - x303 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x303 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x303 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x302, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) del x302 t3new += einsum(x303, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x303, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x303 - x304 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x304 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x304 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvv, (1, 2, 4, 5), (3, 0, 4, 5)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x304, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x304, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) del x304 - x305 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x305 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x305 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvv, (1, 4, 5, 2), (3, 0, 4, 5)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x305, (4, 5, 2, 6), (0, 5, 1, 3, 6, 4)) - x306 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x306 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x306 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x305, (4, 5, 3, 6), (1, 4, 0, 5, 2, 6)) del x305 t3new += einsum(x306, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 t3new += einsum(x306, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x306 - x307 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x307 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x307 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (4, 2, 5, 3), (1, 0, 4, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x307, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x307, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) del x307 - x308 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x308 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) x308 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x308, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) del x308 - x309 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x309 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) x309 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x309, (4, 5, 2, 6), (1, 0, 4, 5, 6, 3)) del x309 - x310 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x310 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) x310 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (0, 3, 4, 5), (1, 2, 4, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x310, (4, 5, 6, 2), (1, 0, 4, 5, 6, 3)) del x310 - x311 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x311 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) x311 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) - x312 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x312 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x312 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x311, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) del x311 t3new += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x312 - x313 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x313 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x313 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvv, (0, 2, 4, 5), (3, 1, 4, 5)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x313, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -2.0 t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x313, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -2.0 del x313 - x314 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x314 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x314 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 2), (3, 1, 4, 5)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x314, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x314, (4, 5, 2, 6), (5, 0, 1, 3, 6, 4)) del x314 - x315 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x315 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x315 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 3), (1, 2, 4, 5)) - x316 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x316 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x316 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x315, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x315 t3new += einsum(x316, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x316, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x316 - x317 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x317 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x317 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 3), (1, 2, 4, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x317, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 del x317 - x318 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x318 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) x318 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 6, 3), (1, 2, 0, 4, 5, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x318, (4, 5, 6, 7, 0, 1), (6, 7, 4, 3, 2, 5)) * -1.0 - x319 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x319 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x319 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x319, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) del x319 - x320 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x320 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x320 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovvv, (0, 3, 4, 5), (1, 2, 4, 5)) - x321 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x321 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x321 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x320, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x320 t3new += einsum(x321, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x321, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x321 - x322 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x322 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x322 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovvv, (4, 3, 5, 6), (1, 2, 0, 4, 5, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x322, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x322, (4, 5, 6, 1, 7, 2), (6, 0, 4, 3, 7, 5)) - x323 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x323 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x323 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 2, 4, 5, 3, 6), (4, 6, 5, 1)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x323, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -1.0 del x323 - x324 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x324 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x324 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 2, 4, 1, 5, 6), (4, 6, 5, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x324, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) * -1.0 del x324 - x325 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x325 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x325 += einsum(x12, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x12 t3new += einsum(x325, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x325, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x325 - x326 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x326 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x326 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 3, 1, 6), (5, 6, 4, 0)) - x327 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x327 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x327 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x326, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x326 t3new += einsum(x327, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x327, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x327 - x328 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x328 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x328 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x328, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x328, (4, 5, 6, 1, 7, 2), (0, 6, 4, 3, 7, 5)) del x328 - x329 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x329 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x329 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x329, (4, 5, 6, 1, 7, 2), (0, 6, 4, 7, 3, 5)) del x329 - x330 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x330 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x330 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 1, 3, 6), (5, 6, 4, 0)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x330, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 del x330 - x331 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x331 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x331 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 1, 3, 6), (5, 6, 4, 0)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x331, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) del x331 - x332 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x332 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x332 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x332, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -2.0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x332, (4, 5, 6, 1, 7, 2), (6, 0, 4, 7, 3, 5)) del x332 - x333 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x333 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x333 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x333, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x333, (4, 5, 6, 1, 7, 2), (6, 0, 4, 3, 7, 5)) del x333 - x334 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x334 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) x334 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x334, (4, 5, 6, 7, 0, 1), (6, 7, 4, 2, 3, 5)) - x335 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x335 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x335 += einsum(x85, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) t3new += einsum(x335, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 t3new += einsum(x335, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 del x335 - x336 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x336 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x336 += einsum(x85, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) del x85 t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 del x336 - x337 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x337 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x337 += einsum(x83, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) t3new += einsum(x337, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 t3new += einsum(x337, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.5 del x337 - x338 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x338 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x338 += einsum(x83, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) del x83 t3new += einsum(x338, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.5 t3new += einsum(x338, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 del x338 - x339 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x339 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x339 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 1, 6, 3), (5, 4, 0, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x339, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 0.5 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x339, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -0.5 del x339 - x340 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x340 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x340 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 4, 5, 1, 6, 3), (5, 4, 2, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x340, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -0.5 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x340, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * 0.5 del x340 - x341 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x341 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) x341 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 2, 4, 5), (3, 5, 0, 4)) t3new += einsum(x341, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 del x341 - x342 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x342 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) x342 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (4, 2, 1, 5), (3, 5, 0, 4)) t3new += einsum(x342, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) t3new += einsum(x342, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) del x342 - x343 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x343 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) x343 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 0, 4, 5, 6, 3), (4, 5, 6, 1)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x343, (4, 5, 6, 2), (1, 0, 4, 5, 6, 3)) * -1.0 del x343 - x344 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x344 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x344 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 1, 3), (5, 4, 0, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x344, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) del x344 - x345 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x345 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x345 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 5, 6, 1, 3), (5, 4, 2, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x345, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 del x345 - x346 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x346 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x346 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 1, 6, 3), (5, 4, 0, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x346, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -0.5 del x346 - x347 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x347 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x347 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 5, 1, 6, 3), (5, 4, 2, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x347, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 0.5 del x347 - x348 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x348 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) x348 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 2, 4, 5), (3, 5, 1, 4)) t3new += einsum(x348, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 del x348 - x349 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x349 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x349 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 6, 1, 3), (5, 4, 0, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x349, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x349 - x350 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x350 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) x350 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (4, 2, 0, 5), (3, 5, 1, 4)) t3new += einsum(x350, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 del x350 - x351 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) + x351 = np.zeros((navir, navir, nvir, nvir), dtype=types[float]) x351 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 4, 1, 5), (3, 5, 2, 4)) t3new += einsum(x351, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 0.25 del x351 - x352 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) + x352 = np.zeros((navir, navir, nvir, nvir), dtype=types[float]) x352 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 4, 0, 5), (3, 5, 2, 4)) t3new += einsum(x352, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * -0.25 del x352 - x353 = np.zeros((navir, navir), dtype=np.float64) + x353 = np.zeros((navir, navir), dtype=types[float]) x353 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 2, 1, 4), (3, 4)) t3new += einsum(x353, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -0.5 del x353 - x354 = np.zeros((navir, navir), dtype=np.float64) + x354 = np.zeros((navir, navir), dtype=types[float]) x354 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 2, 0, 4), (3, 4)) t3new += einsum(x354, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 0.5 del x354 - x355 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) + x355 = np.zeros((navir, navir, nvir, nvir), dtype=types[float]) x355 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 4, 0, 5), (3, 5, 2, 4)) t3new += einsum(x355, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * -0.25 del x355 - x356 = np.zeros((navir, navir, nvir, nvir), dtype=np.float64) + x356 = np.zeros((navir, navir, nvir, nvir), dtype=types[float]) x356 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 4, 1, 5), (3, 5, 2, 4)) t3new += einsum(x356, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 0.25 t3new += einsum(x356, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) del x356 - x357 = np.zeros((navir, navir), dtype=np.float64) + x357 = np.zeros((navir, navir), dtype=types[float]) x357 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 2, 0, 4), (3, 4)) t3new += einsum(x357, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 0.5 del x357 - x358 = np.zeros((navir, navir), dtype=np.float64) + x358 = np.zeros((navir, navir), dtype=types[float]) x358 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 2, 1, 4), (3, 4)) t3new += einsum(x358, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -1.5 del x358 - x359 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x359 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x359 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 4, 3, 2, 5, 6), (6, 4, 5, 1)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x359, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 0.5 t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x359, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -0.5 del x359 - x360 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x360 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) x360 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (4, 2, 3, 5), (1, 5, 0, 4)) t3new += einsum(x360, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 del x360 - x361 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x361 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x361 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 4, 3, 1, 5, 6), (6, 4, 5, 2)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x361, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -0.5 t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x361, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * 0.5 del x361 - x362 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x362 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) x362 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (4, 3, 2, 5), (1, 5, 0, 4)) t3new += einsum(x362, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 del x362 - x363 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x363 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x363 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 5, 2, 6), (6, 4, 5, 1)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x363, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 0.5 del x363 - x364 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x364 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x364 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 2, 5, 6), (6, 4, 5, 1)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x364, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -0.5 del x364 - x365 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x365 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x365 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x365, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 del x365 - x366 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x366 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) x366 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (4, 2, 3, 5), (1, 5, 0, 4)) t3new += einsum(x366, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) del x366 - x367 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x367 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x367 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x367, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -0.5 del x367 - x368 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x368 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x368 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 1, 5, 6), (6, 4, 5, 2)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x368, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 0.5 del x368 - x369 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x369 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x369 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 2, 5, 6), (6, 4, 5, 1)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x369, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 del x369 - x370 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) + x370 = np.zeros((naocc, naocc, nvir, nvir), dtype=types[float]) x370 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 3, 4, 5), (1, 5, 2, 4)) t3new += einsum(x370, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -1.0 del x370 - x371 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) + x371 = np.zeros((naocc, naocc, nvir, nvir), dtype=types[float]) x371 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 2, 4, 5), (1, 5, 3, 4)) t3new += einsum(x371, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 2.0 del x371 - x372 = np.zeros((naocc, naocc), dtype=np.float64) + x372 = np.zeros((naocc, naocc), dtype=types[float]) x372 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 2, 3, 4), (1, 4)) - x373 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x373 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x373 += einsum(x372, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) del x372 t3new += einsum(x373, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x373, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x373 - x374 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) + x374 = np.zeros((naocc, naocc, nvir, nvir), dtype=types[float]) x374 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 4, 3, 5), (1, 5, 2, 4)) t3new += einsum(x374, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) t3new += einsum(x374, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) del x374 - x375 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x375 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x375 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 2, 1, 6), (6, 4, 5, 0)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x375, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * -1.0 del x375 - x376 = np.zeros((naocc, naocc, nvir, nvir), dtype=np.float64) + x376 = np.zeros((naocc, naocc, nvir, nvir), dtype=types[float]) x376 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 4, 2, 5), (1, 5, 3, 4)) t3new += einsum(x376, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -1.0 del x376 - x377 = np.zeros((naocc, naocc), dtype=np.float64) + x377 = np.zeros((naocc, naocc), dtype=types[float]) x377 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 3, 2, 4), (1, 4)) t3new += einsum(x377, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) del x377 - x378 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) + x378 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=types[float]) x378 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) t3new += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x378, (6, 2, 7, 5, 8, 1), (8, 0, 6, 4, 3, 7)) * -1.0 - x379 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x379 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x379 += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x378, (6, 2, 7, 5, 8, 0), (6, 7, 8, 1, 3, 4)) del x378 t3new += einsum(x379, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 t3new += einsum(x379, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 del x379 - x380 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) + x380 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=types[float]) x380 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oVvO, (4, 5, 2, 6), (1, 6, 3, 5, 0, 4)) - x381 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x381 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x381 += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x380, (6, 2, 7, 5, 8, 0), (6, 7, 8, 1, 3, 4)) del x380 t3new += einsum(x381, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 t3new += einsum(x381, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 del x381 - x382 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) + x382 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=types[float]) x382 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) t3new += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x382, (6, 2, 7, 5, 8, 1), (0, 8, 6, 3, 4, 7)) * -1.0 del x382 - x383 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x383 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x383 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x67, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x67 t3new += einsum(x383, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 t3new += einsum(x383, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 del x383 - x384 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x384 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x384 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x69, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x69 t3new += einsum(x384, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 t3new += einsum(x384, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 del x384 - x385 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x385 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x385 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x71, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x71 t3new += einsum(x385, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x385, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x385 - x386 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x386 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) x386 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) - x387 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x387 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x387 += einsum(x386, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) del x386 t3new += einsum(x387, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new += einsum(x387, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x387 - x388 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x388 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) x388 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oVvO, (0, 4, 2, 5), (1, 5, 3, 4)) - x389 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x389 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x389 += einsum(x388, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) del x388 t3new += einsum(x389, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x389, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x389 - x390 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x390 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x390 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoV, (1, 3, 4, 5), (5, 0, 4, 2)) t3new += einsum(x390, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) * -2.0 del x390 - x391 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x391 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x391 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (2, 4, 5, 1, 6, 3), (5, 6, 4, 0)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x391, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -0.5 del x391 - x392 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x392 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x392 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 4, 5, 1, 6, 3), (5, 6, 4, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x392, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 0.5 del x392 - x393 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x393 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x393 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoV, (1, 2, 4, 5), (5, 0, 4, 3)) t3new += einsum(x393, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) del x393 - x394 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x394 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x394 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoV, (4, 3, 1, 5), (5, 0, 4, 2)) t3new += einsum(x394, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) del x394 - x395 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=np.float64) + x395 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=types[float]) x395 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovOV, (4, 3, 5, 6), (1, 5, 6, 0, 4, 2)) - x396 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x396 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x396 += einsum(t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x395, (6, 2, 5, 7, 1, 8), (6, 4, 7, 0, 8, 3)) del x395 t3new += einsum(x396, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x396, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 del x396 - x397 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=np.float64) + x397 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=types[float]) x397 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovOV, (4, 2, 5, 6), (1, 5, 6, 0, 4, 3)) t3new += einsum(t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x397, (6, 2, 5, 7, 1, 8), (7, 0, 6, 8, 3, 4)) t3new += einsum(t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x397, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * 0.5 del x397 - x398 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=np.float64) + x398 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=types[float]) x398 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 3, 6), (1, 6, 5, 0, 4, 2)) t3new += einsum(t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x398, (6, 2, 5, 7, 1, 8), (0, 7, 6, 3, 8, 4)) * 0.5 del x398 - x399 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=np.float64) + x399 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=types[float]) x399 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 2, 6), (1, 6, 5, 0, 4, 3)) t3new += einsum(t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x399, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * -0.5 del x399 - x400 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) + x400 = np.zeros((naocc, naocc, navir, nvir), dtype=types[float]) x400 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovOV, (0, 3, 4, 5), (1, 4, 5, 2)) t3new += einsum(x400, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) del x400 - x401 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x401 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x401 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 2, 1, 6, 3), (6, 4, 5, 0)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x401, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * 0.5 del x401 - x402 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x402 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x402 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 3, 2, 6, 1), (6, 4, 5, 0)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x402, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -0.5 del x402 - x403 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) + x403 = np.zeros((naocc, naocc, navir, nvir), dtype=types[float]) x403 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovOV, (0, 2, 4, 5), (1, 4, 5, 3)) t3new += einsum(x403, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -2.0 del x403 - x404 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) + x404 = np.zeros((naocc, naocc, navir, nvir), dtype=types[float]) x404 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvO, (0, 4, 2, 5), (1, 5, 4, 3)) t3new += einsum(x404, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) del x404 - x405 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x405 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x405 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 4, 3, 5, 2, 6), (4, 6, 5, 1)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x405, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 0.5 del x405 - x406 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x406 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x406 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 4, 3, 2, 5, 6), (4, 6, 5, 1)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x406, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -0.5 del x406 - x407 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x407 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x407 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 4, 3, 5, 1, 6), (4, 6, 5, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x407, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -0.5 del x407 - x408 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x408 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x408 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 4, 3, 1, 5, 6), (4, 6, 5, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x408, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 0.5 del x408 - x409 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x409 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x409 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 2, 6, 1, 3), (5, 4, 0, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x409, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x409, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) del x409 - x410 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) + x410 = np.zeros((naocc, navir, navir, nocc), dtype=types[float]) x410 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovOV, (1, 2, 4, 5), (4, 3, 5, 0)) t3new += einsum(x410, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) del x410 - x411 = np.zeros((naocc, navir, navir, nocc, nocc, nocc), dtype=np.float64) + x411 = np.zeros((naocc, navir, navir, nocc, nocc, nocc), dtype=types[float]) x411 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovOV, (4, 2, 5, 6), (5, 3, 6, 1, 0, 4)) t3new += einsum(t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x411, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) * 0.5 del x411 - x412 = np.zeros((naocc, navir, navir, nocc, nocc, nocc), dtype=np.float64) + x412 = np.zeros((naocc, navir, navir, nocc, nocc, nocc), dtype=types[float]) x412 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oVvO, (4, 5, 2, 6), (6, 3, 5, 1, 0, 4)) t3new += einsum(t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x412, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) * -0.5 del x412 - x413 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x413 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x413 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x413, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * 0.5 del x413 - x414 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x414 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x414 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 3, 2, 6, 1), (5, 4, 0, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x414, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -0.5 del x414 - x415 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) + x415 = np.zeros((naocc, navir, navir, nocc), dtype=types[float]) x415 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovOV, (0, 2, 4, 5), (4, 3, 5, 1)) t3new += einsum(x415, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -2.0 del x415 - x416 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) + x416 = np.zeros((naocc, navir, navir, nocc), dtype=types[float]) x416 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oVvO, (0, 4, 2, 5), (5, 3, 4, 1)) t3new += einsum(x416, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) del x416 - x417 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x417 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x417 += einsum(t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x138, (2, 5, 6, 7, 0, 8), (1, 4, 6, 7, 8, 3)) del x138 t3new += einsum(x417, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 t3new += einsum(x417, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 del x417 - x418 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x418 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x418 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 3, 6), (6, 5, 0, 1, 4, 2)) - x419 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x419 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x419 += einsum(t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x418, (2, 5, 6, 7, 0, 8), (1, 4, 6, 7, 8, 3)) del x418 t3new += einsum(x419, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 t3new += einsum(x419, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 del x419 - x420 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x420 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x420 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 2, 1, 6, 3), (5, 6, 4, 0)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x420, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -0.5 del x420 - x421 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x421 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x421 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 3, 2, 6, 1), (5, 6, 4, 0)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x421, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * 0.5 del x421 - x422 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x422 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x422 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovOV, (1, 3, 4, 5), (4, 5, 0, 2)) t3new += einsum(x422, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 del x422 - x423 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x423 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x423 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovOV, (1, 2, 4, 5), (4, 5, 0, 3)) t3new += einsum(x423, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 del x423 - x424 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x424 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x424 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oVvO, (1, 4, 3, 5), (5, 4, 0, 2)) t3new += einsum(x424, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 del x424 - x425 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) + x425 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=types[float]) x425 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovOV, (4, 3, 5, 6), (1, 5, 2, 6, 0, 4)) t3new += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x425, (6, 2, 7, 5, 8, 1), (8, 0, 6, 4, 3, 7)) t3new += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x425, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * 0.5 del x425 - x426 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=np.float64) + x426 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=types[float]) x426 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 3, 6), (1, 6, 2, 5, 0, 4)) t3new += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x426, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * -0.5 del x426 - x427 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x427 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) x427 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovOV, (0, 3, 4, 5), (1, 4, 2, 5)) - x428 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x428 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x428 += einsum(x427, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) del x427 t3new += einsum(x428, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x428, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x428 - x429 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x429 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) x429 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.oVvO, (0, 4, 3, 5), (1, 5, 2, 4)) t3new += einsum(x429, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) del x429 - x430 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) + x430 = np.zeros((naocc, nocc, nocc, nocc), dtype=types[float]) x430 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovoO, (2, 1, 3, 4), (4, 0, 3, 2)) - x431 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x431 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x431 += einsum(t1[np.ix_(so,sv)], (0, 1), x430, (2, 3, 4, 0), (2, 3, 4, 1)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x431, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x432 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x432 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x432 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x431, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) del x431 t3new += einsum(x432, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x432, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x432 - x433 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x433 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x433 += einsum(t1[np.ix_(so,sv)], (0, 1), x430, (2, 3, 0, 4), (2, 3, 4, 1)) del x430 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x433, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x433, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x433 - x434 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x434 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) x434 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (4, 2, 5, 6), (6, 3, 1, 0, 5, 4)) - x435 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x435 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x435 += einsum(t1[np.ix_(so,sv)], (0, 1), x434, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x434 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x435, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x435 - x436 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x436 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x436 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x41, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) - x437 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x437 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x437 += einsum(t1[np.ix_(so,sv)], (0, 1), x436, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x436 t3new += einsum(x437, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x437, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x437 - x438 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x438 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x438 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x41, (4, 5, 6, 0), (1, 3, 4, 6, 5, 2)) - x439 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x439 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x439 += einsum(t1[np.ix_(so,sv)], (0, 1), x438, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x438 t3new += einsum(x439, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x439, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x439 - x440 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x440 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x440 += einsum(t1[np.ix_(so,sv)], (0, 1), x259, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x259 - x441 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x441 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x441 += einsum(t1[np.ix_(so,sv)], (0, 1), x440, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x440 t3new += einsum(x441, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x441, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x441 - x442 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x442 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x442 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvV, (2, 1, 3, 4), (4, 0, 2, 3)) - x443 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x443 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x443 += einsum(t1[np.ix_(so,sv)], (0, 1), x442, (2, 3, 4, 1), (2, 0, 3, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x443, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) del x443 - x444 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x444 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x444 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x90, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x90 t3new += einsum(x444, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x444, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x444 - x445 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x445 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x445 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x442, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) - x446 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x446 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x446 += einsum(t1[np.ix_(so,sv)], (0, 1), x445, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x445 t3new += einsum(x446, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x446, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x446 - x447 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x447 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x447 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvV, (2, 3, 1, 4), (4, 0, 2, 3)) - x448 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x448 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x448 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x447, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x448, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) del x448 - x449 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x449 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x449 += einsum(t1[np.ix_(so,sv)], (0, 1), x113, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) del x113 - x450 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x450 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x450 += einsum(t1[np.ix_(so,sv)], (0, 1), x449, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x449 t3new += einsum(x450, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x450, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x450 - x451 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x451 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x451 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x447, (4, 5, 6, 2), (1, 4, 5, 0, 6, 3)) del x447 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x451, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x451 - x452 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x452 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x452 += einsum(t1[np.ix_(so,sv)], (0, 1), x294, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) del x294 - x453 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x453 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x453 += einsum(t1[np.ix_(so,sv)], (0, 1), x452, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x452 t3new += einsum(x453, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x453, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 del x453 - x454 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x454 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x454 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x442, (4, 5, 6, 2), (1, 4, 5, 0, 6, 3)) del x442 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x454, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) del x454 - x455 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x455 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x455 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoO, (0, 2, 3, 4), (4, 1, 3, 2)) - x456 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x456 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x456 += einsum(t1[np.ix_(so,sv)], (0, 1), x455, (2, 3, 4, 1), (2, 3, 0, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x456, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 del x456 - x457 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x457 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x457 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoO, (2, 3, 0, 4), (4, 1, 2, 3)) - x458 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x458 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x458 += einsum(t1[np.ix_(so,sv)], (0, 1), x457, (2, 3, 4, 1), (2, 3, 0, 4)) - x459 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x459 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x459 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x458, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x458 t3new += einsum(x459, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x459, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x459 - x460 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x460 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x460 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x457, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x457 - x461 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x461 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x461 += einsum(t1[np.ix_(so,sv)], (0, 1), x460, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x460 t3new += einsum(x461, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x461, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x461 - x462 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x462 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x462 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x455, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x455 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x462, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x462 - x463 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x463 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x463 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ooov, (2, 3, 0, 4), (1, 2, 3, 4)) - x464 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x464 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x464 += einsum(t1[np.ix_(so,sv)], (0, 1), x463, (2, 3, 4, 1), (2, 0, 4, 3)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x464, (4, 5, 0, 6), (5, 6, 1, 3, 2, 4)) * -1.0 del x464 - x465 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x465 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x465 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ooov, (2, 0, 3, 4), (1, 2, 3, 4)) - x466 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x466 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x466 += einsum(t1[np.ix_(so,sv)], (0, 1), x465, (2, 3, 4, 1), (2, 0, 3, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x466, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 del x466 - x467 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x467 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x467 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x463, (4, 5, 6, 3), (1, 4, 0, 6, 5, 2)) - x468 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x468 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x468 += einsum(t1[np.ix_(so,sv)], (0, 1), x467, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x467 t3new += einsum(x468, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x468, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x468 - x469 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x469 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x469 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x465, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x469, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x469 - x470 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x470 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x470 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x463, (4, 5, 6, 2), (1, 4, 0, 6, 5, 3)) del x463 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x470, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x470 - x471 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x471 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x471 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x465, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) del x465 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x471, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x471 - x472 = np.zeros((navir, nvir, nvir, nvir), dtype=np.float64) + x472 = np.zeros((navir, nvir, nvir, nvir), dtype=types[float]) x472 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvv, (0, 2, 3, 4), (1, 2, 3, 4)) - x473 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x473 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x473 += einsum(t1[np.ix_(so,sv)], (0, 1), x472, (2, 1, 3, 4), (2, 0, 4, 3)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x473, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x473, (4, 5, 2, 6), (5, 0, 1, 3, 6, 4)) del x473 - x474 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x474 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x474 += einsum(t1[np.ix_(so,sv)], (0, 1), x472, (2, 3, 4, 1), (2, 0, 3, 4)) del x472 t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x474, (4, 5, 2, 6), (0, 5, 1, 3, 6, 4)) - x475 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x475 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x475 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x474, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) del x474 t3new += einsum(x475, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x475, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 del x475 - x476 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) + x476 = np.zeros((naocc, nocc, nocc, nocc), dtype=types[float]) x476 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - x477 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x477 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x477 += einsum(t1[np.ix_(so,sv)], (0, 1), x476, (2, 3, 0, 4), (2, 3, 4, 1)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x477, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x478 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x478 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x478 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x477, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) del x477 t3new += einsum(x478, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x478, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x478 - x479 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x479 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x479 += einsum(t1[np.ix_(so,sv)], (0, 1), x476, (2, 3, 4, 0), (2, 4, 3, 1)) del x476 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x479, (4, 1, 5, 6), (5, 0, 4, 6, 2, 3)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x479, (4, 0, 5, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x479 - x480 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x480 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x480 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvV, (2, 3, 1, 4), (0, 4, 2, 3)) - x481 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x481 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x481 += einsum(t1[np.ix_(so,sv)], (0, 1), x480, (2, 3, 4, 1), (2, 3, 0, 4)) - x482 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x482 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x482 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x481, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x481 t3new += einsum(x482, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x482, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 del x482 - x483 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x483 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x483 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvV, (2, 1, 3, 4), (0, 4, 2, 3)) - x484 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x484 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x484 += einsum(t1[np.ix_(so,sv)], (0, 1), x483, (2, 3, 4, 1), (2, 3, 0, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x484, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) del x484 - x485 = np.zeros((naocc, nocc, nvir, nvir), dtype=np.float64) + x485 = np.zeros((naocc, nocc, nvir, nvir), dtype=types[float]) x485 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x486 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x486 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x486 += einsum(t1[np.ix_(so,sv)], (0, 1), x485, (2, 3, 1, 4), (2, 0, 3, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x486, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x486, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) del x486 - x487 = np.zeros((naocc, nocc, nvir, nvir), dtype=np.float64) + x487 = np.zeros((naocc, nocc, nvir, nvir), dtype=types[float]) x487 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) - x488 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x488 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x488 += einsum(t1[np.ix_(so,sv)], (0, 1), x487, (2, 3, 4, 1), (2, 0, 3, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x488, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) - x489 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x489 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x489 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x488, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) del x488 t3new += einsum(x489, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 t3new += einsum(x489, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 del x489 - x490 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x490 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x490 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x483, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x483 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x490, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x490 - x491 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x491 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x491 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x480, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x480 - x492 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x492 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x492 += einsum(t1[np.ix_(so,sv)], (0, 1), x491, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x491 t3new += einsum(x492, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 t3new += einsum(x492, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 del x492 - x493 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x493 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x493 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x487, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) del x487 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x493, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) del x493 - x494 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x494 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x494 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x485, (4, 5, 2, 6), (4, 3, 1, 0, 5, 6)) del x485 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x494, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x494 - x495 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x495 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x495 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ooov, (4, 5, 0, 3), (2, 1, 4, 5)) - x496 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x496 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x496 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x495, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) del x495 t3new += einsum(x496, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x496, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x496 - x497 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x497 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x497 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ooov, (4, 0, 5, 3), (2, 1, 4, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x497, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 del x497 - x498 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x498 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x498 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ovvv, (0, 3, 4, 5), (2, 1, 4, 5)) - x499 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x499 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x499 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x498, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) del x498 t3new += einsum(x499, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x499, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x499 - x500 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x500 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x500 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ovvv, (0, 4, 5, 3), (2, 1, 4, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x500, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) del x500 - x501 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x501 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x501 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x41, (4, 5, 6, 0), (1, 2, 4, 6, 5, 3)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x501, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x501 - x502 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x502 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x502 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x41, (4, 5, 0, 6), (1, 2, 4, 5, 6, 3)) del x41 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x502, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x502 - x503 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x503 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x503 += einsum(t1[np.ix_(so,sv)], (0, 1), x318, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x318 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x503, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x503 - x504 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x504 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x504 += einsum(t1[np.ix_(so,sv)], (0, 1), x322, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) del x322 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x504, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x504 - x505 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x505 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x505 += einsum(t1[np.ix_(so,sv)], (0, 1), x115, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) del x115 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x505, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) del x505 - x506 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x506 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x506 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x506, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x506 - x507 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x507 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x507 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 4, 1, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x507, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) del x507 - x508 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x508 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x508 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x508, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x508 - x509 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x509 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x509 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 3, 6, 7), (5, 7, 0, 4, 1, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x509, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x509 - x510 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x510 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x510 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x510, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) del x510 - x511 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x511 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x511 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x511, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x511 - x512 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x512 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x512 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x512, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) del x512 - x513 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x513 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x513 += einsum(t1[np.ix_(so,sv)], (0, 1), x334, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x334 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x513, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) del x513 - x514 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x514 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x514 += einsum(x0, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x514, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x514 - x515 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x515 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x515 += einsum(x15, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x515, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) del x515 - x516 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x516 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x516 += einsum(x0, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x516, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x516 - x517 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x517 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x517 += einsum(x15, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x517, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x517 - x518 = np.zeros((navir, navir, nocc, nvir), dtype=np.float64) + x518 = np.zeros((navir, navir, nocc, nvir), dtype=types[float]) x518 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoV, (0, 2, 3, 4), (1, 4, 3, 2)) - x519 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x519 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) x519 += einsum(t1[np.ix_(so,sv)], (0, 1), x518, (2, 3, 4, 1), (2, 3, 0, 4)) del x518 t3new += einsum(x519, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 del x519 - x520 = np.zeros((navir, navir, nocc, nvir), dtype=np.float64) + x520 = np.zeros((navir, navir, nocc, nvir), dtype=types[float]) x520 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) - x521 = np.zeros((navir, navir, nocc, nocc), dtype=np.float64) + x521 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) x521 += einsum(t1[np.ix_(so,sv)], (0, 1), x520, (2, 3, 4, 1), (2, 3, 0, 4)) del x520 t3new += einsum(x521, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) t3new += einsum(x521, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) del x521 - x522 = np.zeros((navir, navir, nocc, nvir), dtype=np.float64) + x522 = np.zeros((navir, navir, nocc, nvir), dtype=types[float]) x522 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoV, (0, 2, 3, 4), (1, 4, 3, 2)) - x523 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x523 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x523 += einsum(x522, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (6, 0, 4, 5, 2, 7)) del x522 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x523, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -0.5 del x523 - x524 = np.zeros((navir, navir, nocc, nvir), dtype=np.float64) + x524 = np.zeros((navir, navir, nocc, nvir), dtype=types[float]) x524 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) - x525 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x525 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x525 += einsum(x524, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (6, 0, 4, 5, 2, 7)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x525, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 0.5 del x525 - x526 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x526 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x526 += einsum(x524, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) del x524 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x526, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x526 - x527 = np.zeros((navir, nocc), dtype=np.float64) + x527 = np.zeros((navir, nocc), dtype=types[float]) x527 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovoV, (0, 1, 2, 3), (3, 2)) - x528 = np.zeros((navir, navir), dtype=np.float64) + x528 = np.zeros((navir, navir), dtype=types[float]) x528 += einsum(t1[np.ix_(so,sV)], (0, 1), x527, (2, 0), (1, 2)) del x527 t3new += einsum(x528, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 del x528 - x529 = np.zeros((navir, nocc), dtype=np.float64) + x529 = np.zeros((navir, nocc), dtype=types[float]) x529 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovoV, (2, 1, 0, 3), (3, 2)) - x530 = np.zeros((navir, navir), dtype=np.float64) + x530 = np.zeros((navir, navir), dtype=types[float]) x530 += einsum(t1[np.ix_(so,sV)], (0, 1), x529, (2, 0), (1, 2)) del x529 t3new += einsum(x530, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) del x530 - x531 = np.zeros((naocc, naocc, nocc, nvir), dtype=np.float64) + x531 = np.zeros((naocc, naocc, nocc, nvir), dtype=types[float]) x531 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) - x532 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x532 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) x532 += einsum(t1[np.ix_(so,sv)], (0, 1), x531, (2, 3, 4, 1), (2, 3, 0, 4)) t3new += einsum(x532, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 del x532 - x533 = np.zeros((naocc, naocc, nocc, nvir), dtype=np.float64) + x533 = np.zeros((naocc, naocc, nocc, nvir), dtype=types[float]) x533 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvO, (2, 1, 3, 4), (0, 4, 2, 3)) - x534 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x534 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) x534 += einsum(t1[np.ix_(so,sv)], (0, 1), x533, (2, 3, 4, 1), (2, 3, 0, 4)) t3new += einsum(x534, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 del x534 - x535 = np.zeros((naocc, naocc, nocc, nvir), dtype=np.float64) + x535 = np.zeros((naocc, naocc, nocc, nvir), dtype=types[float]) x535 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) - x536 = np.zeros((naocc, naocc, nocc, nocc), dtype=np.float64) + x536 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) x536 += einsum(t1[np.ix_(so,sv)], (0, 1), x535, (2, 3, 4, 1), (2, 3, 0, 4)) del x535 t3new += einsum(x536, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) del x536 - x537 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x537 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x537 += einsum(x533, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 5, 2, 6)) del x533 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x537, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x537 - x538 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x538 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x538 += einsum(x531, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 5, 2, 6)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x538, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) del x538 - x539 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x539 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x539 += einsum(x531, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x531 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x539, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x539 - x540 = np.zeros((naocc, nvir), dtype=np.float64) + x540 = np.zeros((naocc, nvir), dtype=types[float]) x540 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvO, (0, 1, 2, 3), (3, 2)) - x541 = np.zeros((naocc, naocc), dtype=np.float64) + x541 = np.zeros((naocc, naocc), dtype=types[float]) x541 += einsum(t1[np.ix_(sO,sv)], (0, 1), x540, (2, 1), (0, 2)) del x540 t3new += einsum(x541, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 del x541 - x542 = np.zeros((naocc, nvir), dtype=np.float64) + x542 = np.zeros((naocc, nvir), dtype=types[float]) x542 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvO, (0, 2, 1, 3), (3, 2)) - x543 = np.zeros((naocc, naocc), dtype=np.float64) + x543 = np.zeros((naocc, naocc), dtype=types[float]) x543 += einsum(t1[np.ix_(sO,sv)], (0, 1), x542, (2, 1), (0, 2)) del x542 t3new += einsum(x543, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) del x543 - x544 = np.zeros((naocc, naocc, navir, nocc), dtype=np.float64) + x544 = np.zeros((naocc, naocc, navir, nocc), dtype=types[float]) x544 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovOV, (2, 1, 3, 4), (0, 3, 4, 2)) - x545 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x545 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) x545 += einsum(t1[np.ix_(so,sV)], (0, 1), x544, (2, 3, 4, 0), (2, 3, 1, 4)) - x546 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x546 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x546 += einsum(x545, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) del x545 t3new += einsum(x546, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new += einsum(x546, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x546 - x547 = np.zeros((naocc, naocc, navir, nocc), dtype=np.float64) + x547 = np.zeros((naocc, naocc, navir, nocc), dtype=types[float]) x547 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oVvO, (2, 3, 1, 4), (0, 4, 3, 2)) - x548 = np.zeros((naocc, naocc, navir, navir), dtype=np.float64) + x548 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) x548 += einsum(t1[np.ix_(so,sV)], (0, 1), x547, (2, 3, 4, 0), (2, 3, 1, 4)) del x547 t3new += einsum(x548, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) del x548 - x549 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x549 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x549 += einsum(t1[np.ix_(so,sv)], (0, 1), x155, (2, 3, 4, 0), (2, 3, 4, 1)) del x155 t3new += einsum(x549, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) del x549 - x550 = np.zeros((naocc, naocc, navir, nvir), dtype=np.float64) + x550 = np.zeros((naocc, naocc, navir, nvir), dtype=types[float]) x550 += einsum(t1[np.ix_(so,sv)], (0, 1), x544, (2, 3, 4, 0), (2, 3, 4, 1)) del x544 t3new += einsum(x550, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) del x550 - x551 = np.zeros((naocc, navir, navir, nvir), dtype=np.float64) + x551 = np.zeros((naocc, navir, navir, nvir), dtype=types[float]) x551 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovOV, (0, 2, 3, 4), (3, 1, 4, 2)) - x552 = np.zeros((naocc, navir, navir, nocc), dtype=np.float64) + x552 = np.zeros((naocc, navir, navir, nocc), dtype=types[float]) x552 += einsum(t1[np.ix_(so,sv)], (0, 1), x551, (2, 3, 4, 1), (2, 3, 4, 0)) del x551 t3new += einsum(x552, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) del x552 - x553 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x553 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x553 += einsum(t1[np.ix_(so,sv)], (0, 1), x62, (2, 3, 4, 0), (2, 3, 4, 1)) del x62 t3new += einsum(x553, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 del x553 - x554 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x554 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x554 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x97, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x97 t3new += einsum(x554, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x554, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x554 - x555 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x555 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x555 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 5, 0, 2), (1, 3, 4, 5)) - x556 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x556 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x556 += einsum(t1[np.ix_(so,sv)], (0, 1), x555, (2, 3, 4, 1), (2, 3, 0, 4)) - x557 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x557 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x557 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x556, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x556 t3new += einsum(x557, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new += einsum(x557, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 del x557 - x558 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x558 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x558 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x99, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x99 t3new += einsum(x558, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x558, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x558 - x559 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x559 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x559 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x93, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x93 t3new += einsum(x559, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new += einsum(x559, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x559 - x560 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x560 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x560 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 2, 0, 5), (1, 3, 4, 5)) - x561 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x561 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x561 += einsum(t1[np.ix_(so,sv)], (0, 1), x560, (2, 3, 4, 1), (2, 3, 0, 4)) - x562 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x562 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x562 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x561, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x561 t3new += einsum(x562, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x562, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x562 - x563 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x563 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x563 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x95, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x95 t3new += einsum(x563, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x563, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x563 - x564 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x564 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) x564 += einsum(t1[np.ix_(so,sv)], (0, 1), x157, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) - x565 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x565 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x565 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x564, (4, 5, 6, 7, 0, 1), (4, 5, 6, 7, 2, 3)) t3new += einsum(x565, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x565, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x565 - x566 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x566 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x566 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x9, (4, 5, 0, 3), (1, 4, 5, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x566, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x567 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x567 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x567 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x566, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) del x566 t3new += einsum(x567, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x567, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x567 - x568 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x568 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x568 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x9, (4, 5, 0, 2), (1, 4, 5, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x568, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x568, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x568 - x569 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x569 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x569 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x9, (4, 0, 5, 3), (1, 4, 5, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x569, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x569, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x569 - x570 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x570 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x570 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x9, (4, 0, 5, 2), (1, 4, 5, 3)) - x571 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x571 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x571 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x570, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) t3new += einsum(x571, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x571, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x571 - x572 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x572 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x572 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 2, 1, 5), (3, 0, 4, 5)) - x573 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x573 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x573 += einsum(t1[np.ix_(so,sv)], (0, 1), x572, (2, 3, 4, 1), (2, 0, 3, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x573, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * -1.0 del x573 - x574 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x574 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x574 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x9, (4, 1, 0, 5), (3, 4, 2, 5)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x574, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -1.0 - x575 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x575 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x575 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x574, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) del x574 t3new += einsum(x575, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x575, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 t3new += einsum(x575, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x575 - x576 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x576 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x576 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x9, (4, 0, 1, 5), (3, 4, 2, 5)) del x9 t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x576, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 - x577 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x577 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x577 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x576, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) del x576 t3new += einsum(x577, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 t3new += einsum(x577, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 del x577 - x578 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x578 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x578 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 5, 1, 2), (3, 0, 4, 5)) - x579 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x579 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x579 += einsum(t1[np.ix_(so,sv)], (0, 1), x578, (2, 3, 4, 1), (2, 0, 3, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x579, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 del x579 - x580 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x580 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x580 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x570, (4, 5, 0, 6), (4, 3, 5, 1, 6, 2)) del x570 t3new += einsum(x580, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x580, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x580 - x581 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x581 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x581 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 2, 0, 5), (3, 1, 4, 5)) - x582 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x582 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x582 += einsum(t1[np.ix_(so,sv)], (0, 1), x581, (2, 3, 4, 1), (2, 0, 3, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x582, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 del x582 - x583 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x583 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x583 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 5, 0, 2), (3, 1, 4, 5)) - x584 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x584 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x584 += einsum(t1[np.ix_(so,sv)], (0, 1), x583, (2, 3, 4, 1), (2, 0, 3, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x584, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * 2.0 del x584 - x585 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x585 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x585 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x157, (4, 5, 6, 7, 1, 2), (4, 5, 6, 0, 7, 3)) - x586 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x586 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x586 += einsum(t1[np.ix_(so,sv)], (0, 1), x585, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x585 t3new += einsum(x586, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x586, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x586 - x587 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x587 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x587 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x87, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) - x588 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x588 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x588 += einsum(t1[np.ix_(so,sv)], (0, 1), x587, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x587 t3new += einsum(x588, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x588, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x588 - x589 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x589 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x589 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x555, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x555 - x590 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x590 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x590 += einsum(t1[np.ix_(so,sv)], (0, 1), x589, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x589 t3new += einsum(x590, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new += einsum(x590, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x590 - x591 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x591 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x591 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x560, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x560 - x592 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x592 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x592 += einsum(t1[np.ix_(so,sv)], (0, 1), x591, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x591 t3new += einsum(x592, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x592, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x592 - x593 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x593 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x593 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x157, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) - x594 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x594 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x594 += einsum(t1[np.ix_(so,sv)], (0, 1), x593, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x593 t3new += einsum(x594, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x594, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x594 - x595 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x595 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x595 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x157, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) - x596 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x596 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x596 += einsum(t1[np.ix_(so,sv)], (0, 1), x595, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x595 t3new += einsum(x596, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new += einsum(x596, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x596 - x597 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x597 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x597 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x157, (4, 5, 6, 1, 7, 2), (4, 5, 6, 0, 7, 3)) del x157 - x598 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x598 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x598 += einsum(t1[np.ix_(so,sv)], (0, 1), x597, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x597 t3new += einsum(x598, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x598, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x598 - x599 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x599 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x599 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x572, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) - x600 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x600 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x600 += einsum(t1[np.ix_(so,sv)], (0, 1), x599, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x599 t3new += einsum(x600, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x600, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x600 - x601 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x601 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x601 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x578, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x601, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x601 - x602 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) + x602 = np.zeros((naocc, nocc, nocc, nocc), dtype=types[float]) x602 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 5, 2), (1, 0, 4, 5)) - x603 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x603 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x603 += einsum(t1[np.ix_(so,sv)], (0, 1), x602, (2, 3, 4, 0), (2, 3, 4, 1)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x603, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x604 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x604 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x604 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x603, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) del x603 t3new += einsum(x604, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x604, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x604 - x605 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x605 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x605 += einsum(t1[np.ix_(so,sv)], (0, 1), x602, (2, 3, 0, 4), (2, 3, 4, 1)) del x602 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x605, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x605, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x605 - x606 = np.zeros((naocc, nocc, nvir, nvir), dtype=np.float64) + x606 = np.zeros((naocc, nocc, nvir, nvir), dtype=types[float]) x606 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 0, 5), (1, 4, 2, 5)) - x607 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x607 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x607 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x606, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) del x606 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x607, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x607 - x608 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x608 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x608 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x581, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x608, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x608 - x609 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x609 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x609 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x583, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x609, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x609 - x610 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x610 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x610 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x578, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) del x578 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x610, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x610 - x611 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x611 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x611 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x572, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) del x572 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x611, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x611 - x612 = np.zeros((naocc, nocc, nvir, nvir), dtype=np.float64) + x612 = np.zeros((naocc, nocc, nvir, nvir), dtype=types[float]) x612 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 0, 2), (1, 4, 3, 5)) - x613 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x613 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x613 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x612, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) del x612 - x614 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x614 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x614 += einsum(t1[np.ix_(so,sv)], (0, 1), x613, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x613 t3new += einsum(x614, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x614, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x614 - x615 = np.zeros((naocc, nocc, nvir, nvir), dtype=np.float64) + x615 = np.zeros((naocc, nocc, nvir, nvir), dtype=types[float]) x615 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 2, 0, 5), (1, 4, 3, 5)) - x616 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x616 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x616 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x615, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) del x615 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x616, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x616 - x617 = np.zeros((naocc, nocc, nvir, nvir), dtype=np.float64) + x617 = np.zeros((naocc, nocc, nvir, nvir), dtype=types[float]) x617 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 0, 3), (1, 4, 2, 5)) - x618 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x618 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x618 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x617, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) del x617 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x618, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x618 - x619 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x619 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x619 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x581, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) del x581 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x619, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x619 - x620 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x620 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x620 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x583, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) del x583 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x620, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x620 - x621 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x621 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x621 += einsum(x0, (0, 1), t2[np.ix_(so,sO,sv,sV)], (2, 3, 1, 4), (3, 4, 2, 0)) - x622 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x622 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x622 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x621, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x621 t3new += einsum(x622, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new += einsum(x622, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x622 - x623 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x623 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x623 += einsum(x15, (0, 1), t2[np.ix_(so,sO,sv,sV)], (2, 3, 1, 4), (3, 4, 2, 0)) - x624 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x624 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x624 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x623, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x623 t3new += einsum(x624, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x624, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x624 - x625 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x625 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x625 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x104, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x104 t3new += einsum(x625, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new += einsum(x625, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 del x625 - x626 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x626 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x626 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x106, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x106 t3new += einsum(x626, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x626, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x626 - x627 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x627 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x627 += einsum(x0, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 4, 1), (3, 2, 0, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x627, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * 2.0 - x628 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x628 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x628 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x627, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) del x627 t3new += einsum(x628, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new += einsum(x628, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x628 - x629 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x629 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x629 += einsum(x15, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 4, 1), (3, 2, 0, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x629, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x630 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x630 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x630 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x629, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) del x629 t3new += einsum(x630, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x630, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x630 - x631 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x631 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x631 += einsum(x0, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 1, 4), (3, 2, 0, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x631, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x631, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * 2.0 del x631 - x632 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x632 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x632 += einsum(x15, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 1, 4), (3, 2, 0, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x632, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x632, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x632 - x633 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x633 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x633 += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sV)], (2, 3, 1, 4), (4, 3, 2, 0)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x633, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * 2.0 del x633 - x634 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x634 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x634 += einsum(x15, (0, 1), t2[np.ix_(so,so,sv,sV)], (2, 3, 1, 4), (4, 3, 2, 0)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x634, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * -1.0 del x634 - x635 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x635 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x635 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x168, (4, 1, 5, 3), (4, 0, 2, 5)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x635, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -1.0 - x636 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x636 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x636 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x635, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) del x635 t3new += einsum(x636, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x636, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x636 - x637 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x637 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x637 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 2, 3), (1, 4, 0, 5)) - x638 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x638 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x638 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x637, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x637 t3new += einsum(x638, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x638, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x638 - x639 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x639 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x639 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x168, (4, 1, 5, 2), (4, 0, 3, 5)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x639, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x639, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 del x639 - x640 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x640 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x640 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x168, (4, 1, 3, 5), (4, 0, 2, 5)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x640, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * 2.0 - x641 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x641 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x641 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x640, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) del x640 t3new += einsum(x641, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new += einsum(x641, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x641 - x642 = np.zeros((navir, nocc, nvir, nvir), dtype=np.float64) + x642 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) x642 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x168, (4, 1, 2, 5), (4, 0, 3, 5)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x642, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -1.0 - x643 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x643 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x643 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x642, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) del x642 t3new += einsum(x643, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x643, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x643 - x644 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x644 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x644 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 0, 3, 5), (1, 4, 2, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x644, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -1.0 del x644 - x645 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x645 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x645 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 2, 3), (4, 0, 1, 5)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x645, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 del x645 - x646 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x646 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x646 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 0, 2, 5), (1, 4, 3, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x646, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 2.0 del x646 - x647 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x647 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x647 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 0, 5, 3), (1, 4, 2, 5)) - x648 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x648 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x648 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x647, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x647 t3new += einsum(x648, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x648, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x648 - x649 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x649 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x649 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 0, 5, 2), (1, 4, 3, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x649, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -1.0 del x649 - x650 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x650 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x650 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 3, 2), (1, 4, 0, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x650, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 del x650 - x651 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x651 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x651 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 5, 1, 3), (4, 0, 5, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x651, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x652 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x652 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x652 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x651, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) del x651 t3new += einsum(x652, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x652, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x652 - x653 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x653 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x653 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 5, 1, 2), (4, 0, 5, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x653, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x653, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x653 - x654 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x654 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x654 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 1, 5, 3), (4, 0, 5, 2)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x654, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * 2.0 - x655 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x655 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x655 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x654, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) del x654 t3new += einsum(x655, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new += einsum(x655, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x655 - x656 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x656 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x656 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 5, 1, 2), (4, 3, 0, 5)) - x657 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x657 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x657 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x656, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x656 t3new += einsum(x657, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x657, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x657 - x658 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x658 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x658 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 1, 5, 2), (4, 0, 5, 3)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x658, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x659 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x659 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x659 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x658, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) del x658 t3new += einsum(x659, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new += einsum(x659, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x659 - x660 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x660 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x660 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 1, 0, 5), (4, 3, 2, 5)) - x661 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x661 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x661 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x660, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x660 t3new += einsum(x661, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 t3new += einsum(x661, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 del x661 - x662 = np.zeros((naocc, navir, nvir, nvir), dtype=np.float64) + x662 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) x662 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 0, 1, 5), (4, 3, 2, 5)) - x663 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x663 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x663 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x662, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x662 t3new += einsum(x663, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 0.5 t3new += einsum(x663, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x663, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 0.5 del x663 - x664 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x664 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x664 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 1, 5, 2), (4, 3, 0, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x664, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 del x664 - x665 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x665 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x665 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 0, 5, 2), (4, 3, 1, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x665, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 del x665 - x666 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x666 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x666 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 5, 0, 2), (4, 3, 1, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x666, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 del x666 - x667 = np.zeros((naocc, nvir, nvir, nvir), dtype=np.float64) + x667 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) x667 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 1, 0, 5), (4, 3, 2, 5)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x667, (4, 5, 6, 2), (1, 0, 4, 6, 5, 3)) * -1.0 del x667 - x668 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x668 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x668 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 0, 3), (1, 2, 4, 5)) - x669 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x669 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x669 += einsum(t1[np.ix_(so,sv)], (0, 1), x668, (2, 3, 4, 1), (2, 3, 0, 4)) - x670 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x670 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x670 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x669, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x669 t3new += einsum(x670, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x670, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x670 - x671 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x671 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x671 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 0, 5), (1, 2, 4, 5)) - x672 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x672 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x672 += einsum(t1[np.ix_(so,sv)], (0, 1), x671, (2, 3, 4, 1), (2, 3, 0, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x672, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 del x672 - x673 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x673 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) x673 += einsum(t1[np.ix_(so,sv)], (0, 1), x187, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x673, (4, 5, 6, 7, 0, 1), (7, 6, 4, 3, 2, 5)) * -1.0 - x674 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x674 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x674 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x668, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x668 - x675 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x675 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x675 += einsum(t1[np.ix_(so,sv)], (0, 1), x674, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x674 t3new += einsum(x675, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x675, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x675 - x676 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x676 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x676 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x671, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x671 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x676, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x676 - x677 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x677 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x677 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x187, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x677, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x677 - x678 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x678 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x678 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x187, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x678, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x678 - x679 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x679 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x679 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x187, (4, 5, 6, 1, 7, 2), (4, 5, 6, 0, 7, 3)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x679, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x679 - x680 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x680 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x680 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x87, (4, 5, 6, 0), (1, 2, 4, 5, 6, 3)) del x87 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x680, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x680 - x681 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x681 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x681 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x187, (4, 5, 6, 7, 1, 2), (4, 5, 6, 0, 7, 3)) del x187 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x681, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x681 - x682 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x682 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x682 += einsum(x0, (0, 1), t2[np.ix_(so,sO,sV,sv)], (2, 3, 4, 1), (3, 4, 2, 0)) del x0 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x682, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 del x682 - x683 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x683 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x683 += einsum(x15, (0, 1), t2[np.ix_(so,sO,sV,sv)], (2, 3, 4, 1), (3, 4, 2, 0)) del x15 t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x683, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 del x683 - x684 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x684 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x684 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x92, (4, 5, 0, 6), (1, 3, 5, 4, 6, 2)) - x685 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x685 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x685 += einsum(t1[np.ix_(so,sv)], (0, 1), x684, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x684 t3new += einsum(x685, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x685, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x685 - x686 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x686 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x686 += einsum(t1[np.ix_(so,sv)], (0, 1), x564, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x564 - x687 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x687 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x687 += einsum(t1[np.ix_(so,sv)], (0, 1), x686, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x686 t3new += einsum(x687, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x687, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x687 - x688 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x688 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x688 += einsum(t1[np.ix_(so,sv)], (0, 1), x168, (2, 3, 1, 4), (2, 0, 3, 4)) - x689 = np.zeros((navir, nocc, nocc, nocc), dtype=np.float64) + x689 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) x689 += einsum(t1[np.ix_(so,sv)], (0, 1), x688, (2, 3, 4, 1), (2, 3, 0, 4)) t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x689, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 del x689 - x690 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x690 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x690 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x688, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) - x691 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x691 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x691 += einsum(t1[np.ix_(so,sv)], (0, 1), x690, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x690 t3new += einsum(x691, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x691, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x691 - x692 = np.zeros((navir, nocc, nocc, nvir), dtype=np.float64) + x692 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) x692 += einsum(t1[np.ix_(so,sv)], (0, 1), x168, (2, 3, 4, 1), (2, 0, 3, 4)) del x168 - x693 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x693 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x693 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x692, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x693, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x693 - x694 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x694 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x694 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x692, (4, 5, 6, 2), (1, 4, 5, 0, 6, 3)) del x692 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x694, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x694 - x695 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x695 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x695 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x688, (4, 5, 6, 2), (1, 4, 5, 0, 6, 3)) del x688 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x695, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x695 - x696 = np.zeros((naocc, nocc, nocc, nocc), dtype=np.float64) + x696 = np.zeros((naocc, nocc, nocc, nocc), dtype=types[float]) x696 += einsum(t1[np.ix_(so,sv)], (0, 1), x179, (2, 3, 4, 1), (2, 0, 4, 3)) - x697 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x697 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x697 += einsum(t1[np.ix_(so,sv)], (0, 1), x696, (2, 3, 4, 0), (2, 3, 4, 1)) t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x697, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x698 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x698 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x698 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x697, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) del x697 t3new += einsum(x698, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new += einsum(x698, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x698 - x699 = np.zeros((naocc, nocc, nocc, nvir), dtype=np.float64) + x699 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) x699 += einsum(t1[np.ix_(so,sv)], (0, 1), x696, (2, 3, 0, 4), (2, 3, 4, 1)) del x696 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x699, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x699, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x699 - x700 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=np.float64) + x700 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) x700 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 5, 6, 2), (4, 3, 1, 0, 6, 5)) del x179 - x701 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x701 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x701 += einsum(t1[np.ix_(so,sv)], (0, 1), x700, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x700 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x701, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x701 - x702 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x702 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x702 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ovov, (4, 3, 0, 5), (2, 1, 4, 5)) - x703 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x703 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x703 += einsum(t1[np.ix_(so,sv)], (0, 1), x702, (2, 3, 4, 1), (2, 3, 0, 4)) t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x703, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 del x703 - x704 = np.zeros((naocc, navir, nocc, nvir), dtype=np.float64) + x704 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) x704 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ovov, (4, 5, 0, 3), (2, 1, 4, 5)) - x705 = np.zeros((naocc, navir, nocc, nocc), dtype=np.float64) + x705 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) x705 += einsum(t1[np.ix_(so,sv)], (0, 1), x704, (2, 3, 4, 1), (2, 3, 0, 4)) - x706 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x706 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x706 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x705, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x705 t3new += einsum(x706, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) t3new += einsum(x706, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) del x706 - x707 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x707 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x707 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x702, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x702 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x707, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x707 - x708 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x708 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x708 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x704, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x704 - x709 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=np.float64) + x709 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) x709 += einsum(t1[np.ix_(so,sv)], (0, 1), x708, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x708 t3new += einsum(x709, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) t3new += einsum(x709, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) del x709 - x710 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x710 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x710 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x92, (4, 5, 0, 6), (1, 2, 5, 4, 6, 3)) del x92 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x710, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x710 - x711 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=np.float64) + x711 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) x711 += einsum(t1[np.ix_(so,sv)], (0, 1), x673, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x673 t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x711, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 From 876091b4626faa5f0aadf3ca0e4bf87d69ffc7d1 Mon Sep 17 00:00:00 2001 From: Ollie Backhouse Date: Fri, 27 Oct 2023 09:01:30 +0100 Subject: [PATCH 05/10] Adds CCSDt tests --- tests/test_GCCSDt.py | 176 +++++++++++++++++++++++++++++++++++++++++++ tests/test_RCCSDt.py | 175 ++++++++++++++++++++++++++++++++++++++++++ 2 files changed, 351 insertions(+) create mode 100644 tests/test_GCCSDt.py create mode 100644 tests/test_RCCSDt.py diff --git a/tests/test_GCCSDt.py b/tests/test_GCCSDt.py new file mode 100644 index 00000000..a2360e6f --- /dev/null +++ b/tests/test_GCCSDt.py @@ -0,0 +1,176 @@ +"""Tests for the GCCSDt model. +""" + +import tempfile +import unittest + +import numpy as np +import pytest +from pyscf import gto, lib, scf, fci + +from ebcc import GEBCC, REBCC, Space, NullLogger, util + + +@pytest.mark.regression +class GCCSDtp_Tests(unittest.TestCase): + """Test GCCSDt against regression. + """ + + def test_3_electron_exact_fully_active(self): + mol = gto.M( + atom="H 0 0 0; H 0 0 1", + basis="6-31g", + spin=1, + charge=-1, + verbose=0, + ) + assert mol.nelectron == 3 + + mf = scf.UHF(mol) + mf.kernel() + gmf = mf.to_ghf() + + space = Space( + gmf.mo_occ > 0, + np.zeros_like(gmf.mo_occ, dtype=bool), + np.ones_like(gmf.mo_occ, dtype=bool), + ) + + ccsdt = GEBCC( + gmf, + ansatz="CCSDt", + space=space, + conv_tol=1e-10, + log=NullLogger(), + ) + ccsdt.kernel() + e1 = ccsdt.e_tot + + ci = fci.FCI(mf) + ci.conv_tol = 1e-10 + e2 = ci.kernel()[0] + + self.assertAlmostEqual(e1, e2, 6) + + def test_fully_active(self): + mol = gto.M( + atom="H 0 0 0; Li 0 0 1", + basis="sto3g", + verbose=0, + ) + + mf = scf.RHF(mol) + mf.kernel() + gmf = mf.to_ghf() + + space = Space( + gmf.mo_occ > 0, + np.zeros_like(gmf.mo_occ, dtype=bool), + np.ones_like(gmf.mo_occ, dtype=bool), + ) + + ccsdt = GEBCC( + gmf, + ansatz="CCSDt", + space=space, + conv_tol=1e-10, + log=NullLogger(), + ) + ccsdt.kernel() + e1 = ccsdt.e_tot + + ccsdt = GEBCC( + gmf, + ansatz="CCSDT", + space=space, + conv_tol=1e-10, + log=NullLogger(), + ) + ccsdt.kernel() + e2 = ccsdt.e_tot + + self.assertAlmostEqual(e1, e2, 8) + + def test_none_active(self): + mol = gto.M( + atom="H 0 0 0; Li 0 0 1", + basis="sto3g", + verbose=0, + ) + + mf = scf.RHF(mol) + mf.kernel() + gmf = mf.to_ghf() + + space = Space( + gmf.mo_occ > 0, + np.zeros_like(gmf.mo_occ, dtype=bool), + np.zeros_like(gmf.mo_occ, dtype=bool), + ) + + ccsdt = GEBCC( + gmf, + ansatz="CCSDt", + space=space, + conv_tol=1e-10, + log=NullLogger(), + ) + ccsdt.kernel() + e1 = ccsdt.e_tot + + ccsdt = GEBCC( + gmf, + ansatz="CCSD", + space=space, + conv_tol=1e-10, + log=NullLogger(), + ) + ccsdt.kernel() + e2 = ccsdt.e_tot + + self.assertAlmostEqual(e1, e2, 8) + + def test_dump(self): + mol = gto.M( + atom="H 0 0 0; H 0 0 1", + basis="6-31g", + spin=1, + charge=-1, + verbose=0, + ) + + mf = scf.UHF(mol) + mf.kernel() + gmf = mf.to_ghf() + + active = np.zeros_like(gmf.mo_occ, dtype=bool) + active[np.where(gmf.mo_occ > 0)[0][-1]] = True + active[np.where(gmf.mo_occ == 0)[0][0]] = True + space = Space( + gmf.mo_occ > 0, + np.zeros_like(gmf.mo_occ, dtype=bool), + active, + ) + + ccsdt = GEBCC( + gmf, + ansatz="CCSDt", + space=space, + conv_tol=1e-10, + log=NullLogger(), + ) + ccsdt.kernel() + + file = "%s/ebcc.h5" % tempfile.gettempdir() + ccsdt.write(file) + ccsdt_load = GEBCC.read(file, log=NullLogger()) + + np.testing.assert_almost_equal(ccsdt_load.t1, ccsdt.t1) + np.testing.assert_almost_equal(ccsdt_load.t2, ccsdt.t2) + np.testing.assert_almost_equal(ccsdt_load.t3, ccsdt.t3) + + + +if __name__ == "__main__": + print("Tests for GCCSDt") + unittest.main() diff --git a/tests/test_RCCSDt.py b/tests/test_RCCSDt.py new file mode 100644 index 00000000..b84c89dc --- /dev/null +++ b/tests/test_RCCSDt.py @@ -0,0 +1,175 @@ +"""Tests for the RCCSDt model. +""" + +import itertools +import tempfile +import unittest + +import numpy as np +import pytest +import scipy +from pyscf import gto, lib, scf, fci + +from ebcc import GEBCC, REBCC, Space, NullLogger, util + + +@pytest.mark.regression +class RCCSDtp_Tests(unittest.TestCase): + """Test RCCSDt against GCCSDt. + """ + + @classmethod + def setUpClass(cls): + mol = gto.Mole() + mol.atom = "H 0 0 0; Li 0 0 1" + mol.basis = "6-31g" + mol.verbose = 0 + mol.build() + + mf = scf.RHF(mol) + mf.kernel() + + active = np.zeros_like(mf.mo_occ, dtype=bool) + active[np.where(mf.mo_occ > 0)[0][-1]] = True + active[np.where(mf.mo_occ == 0)[0][0]] = True + space = Space( + mf.mo_occ > 0, + np.zeros_like(mf.mo_occ, dtype=bool), + active, + ) + + rccsdt = REBCC( + mf, + ansatz="CCSDt", + space=space, + log=NullLogger(), + ) + rccsdt.options.e_tol = 1e-10 + rccsdt.options.t_tol = 1e-8 + rccsdt.kernel() + + gmf = mf.to_ghf() + + active = np.zeros_like(gmf.mo_occ, dtype=bool) + active[np.isclose(gmf.mo_energy, mf.mo_energy[np.where(mf.mo_occ > 0)[0][-1]])] = True + active[np.isclose(gmf.mo_energy, mf.mo_energy[np.where(mf.mo_occ == 0)[0][0]])] = True + space = Space( + gmf.mo_occ > 0, + np.zeros_like(gmf.mo_occ, dtype=bool), + active, + ) + + gccsdt = GEBCC( + gmf, + ansatz="CCSDt", + space=space, + log=NullLogger(), + ) + gccsdt.options.e_tol = 1e-10 + gccsdt.options.t_tol = 1e-8 + gccsdt.kernel() + + osort = list(itertools.chain(*zip(range(rccsdt.nocc), range(rccsdt.nocc, 2*rccsdt.nocc)))) + vsort = list(itertools.chain(*zip(range(rccsdt.nvir), range(rccsdt.nvir, 2*rccsdt.nvir)))) + fsort = list(itertools.chain(*zip(range(rccsdt.nmo), range(rccsdt.nmo, 2*rccsdt.nmo)))) + + cls.mf, cls.rccsdt, cls.gccsdt = mf, rccsdt, gccsdt + cls.osort, cls.vsort, cls.fsort = osort, vsort, fsort + + @classmethod + def tearDownClass(cls): + del cls.mf, cls.rccsdt, cls.gccsdt + del cls.osort, cls.vsort, cls.fsort + + def test_energy(self): + a = self.rccsdt.e_tot + b = self.gccsdt.e_tot + self.assertAlmostEqual(a, b, 6) + + def test_t1(self): + a = scipy.linalg.block_diag(self.rccsdt.t1, self.rccsdt.t1)[self.osort][:, self.vsort] + b = self.gccsdt.t1 + np.testing.assert_almost_equal(a, b, 6) + + +@pytest.mark.regression +class RCCSDtp_Frozen_Tests(unittest.TestCase): + """Test RCCSDt against GCCSDt with a frozen core approximation. + """ + + @classmethod + def setUpClass(cls): + mol = gto.Mole() + mol.atom = "H 0 0 0; Li 0 0 1" + mol.basis = "6-31g" + mol.verbose = 0 + mol.build() + + mf = scf.RHF(mol) + mf.kernel() + + active = np.zeros_like(mf.mo_occ, dtype=bool) + active[np.where(mf.mo_occ > 0)[0][-1]] = True + active[np.where(mf.mo_occ == 0)[0][0]] = True + frozen = np.zeros_like(mf.mo_occ, dtype=bool) + frozen[0] = True + space = Space( + mf.mo_occ > 0, + frozen, + active, + ) + + rccsdt = REBCC( + mf, + ansatz="CCSDt", + space=space, + log=NullLogger(), + ) + rccsdt.options.e_tol = 1e-10 + rccsdt.options.t_tol = 1e-8 + rccsdt.kernel() + + gmf = mf.to_ghf() + + active = np.zeros_like(gmf.mo_occ, dtype=bool) + active[np.isclose(gmf.mo_energy, mf.mo_energy[np.where(mf.mo_occ > 0)[0][-1]])] = True + active[np.isclose(gmf.mo_energy, mf.mo_energy[np.where(mf.mo_occ == 0)[0][0]])] = True + frozen = np.zeros_like(gmf.mo_occ, dtype=bool) + frozen[np.isclose(gmf.mo_energy, mf.mo_energy[0])] = True + space = Space( + gmf.mo_occ > 0, + frozen, + active, + ) + + gccsdt = GEBCC( + gmf, + ansatz="CCSDt", + space=space, + log=NullLogger(), + ) + gccsdt.options.e_tol = 1e-10 + gccsdt.options.t_tol = 1e-8 + gccsdt.kernel() + + osort = list(itertools.chain(*zip(range(rccsdt.nocc), range(rccsdt.nocc, 2*rccsdt.nocc)))) + vsort = list(itertools.chain(*zip(range(rccsdt.nvir), range(rccsdt.nvir, 2*rccsdt.nvir)))) + fsort = list(itertools.chain(*zip(range(rccsdt.nmo), range(rccsdt.nmo, 2*rccsdt.nmo)))) + + cls.mf, cls.rccsdt, cls.gccsdt = mf, rccsdt, gccsdt + cls.osort, cls.vsort, cls.fsort = osort, vsort, fsort + + @classmethod + def tearDownClass(cls): + del cls.mf, cls.rccsdt, cls.gccsdt + del cls.osort, cls.vsort, cls.fsort + + def test_energy(self): + a = self.rccsdt.e_tot + b = self.gccsdt.e_tot + self.assertAlmostEqual(a, b, 6) + + +if __name__ == "__main__": + print("Tests for RCCSDt") + unittest.main() From 1fd8756e783482a7ccf831fed739911b8c408361 Mon Sep 17 00:00:00 2001 From: Ollie Backhouse Date: Fri, 27 Oct 2023 09:04:20 +0100 Subject: [PATCH 06/10] Update example with CCSDt --- examples/04-ccsdt_active_space.py | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) diff --git a/examples/04-ccsdt_active_space.py b/examples/04-ccsdt_active_space.py index bbe5b943..75d6d518 100644 --- a/examples/04-ccsdt_active_space.py +++ b/examples/04-ccsdt_active_space.py @@ -1,6 +1,6 @@ """ -Example of a CCSDt' calculation with T3 amplitudes in an active -space. +Example of a CCSDt' and CCSDt calculations with T3 amplitudes in an +active space. """ import numpy as np @@ -33,3 +33,7 @@ # Run a CCSDt' calculation ccsdt = REBCC(mf, ansatz="CCSDt'", space=space) ccsdt.kernel() + +# Run a CCSDt calculation +ccsdt = REBCC(mf, ansatz="CCSDt", space=space) +ccsdt.kernel() From 573a6e301adf597ab2a47b1951a4a058be423110 Mon Sep 17 00:00:00 2001 From: Ollie Backhouse Date: Fri, 27 Oct 2023 18:45:13 +0100 Subject: [PATCH 07/10] Adds UCCSDt --- ebcc/codegen/UCCSDt.py | 10419 +++++++++++++++++++++++++++++++++++++++ 1 file changed, 10419 insertions(+) create mode 100644 ebcc/codegen/UCCSDt.py diff --git a/ebcc/codegen/UCCSDt.py b/ebcc/codegen/UCCSDt.py new file mode 100644 index 00000000..04c98d60 --- /dev/null +++ b/ebcc/codegen/UCCSDt.py @@ -0,0 +1,10419 @@ +# Code generated for ebcc. + +from ebcc import numpy as np +from ebcc.util import pack_2e, einsum, Namespace +from ebcc.precision import types + +def energy(f=None, v=None, nocc=None, nvir=None, t1=None, t2=None, t3=None, **kwargs): + # energy + e_cc = 0 + e_cc += einsum(t2.abab, (0, 1, 2, 3), v.aabb.ovov, (0, 2, 1, 3), ()) + e_cc += einsum(t2.bbbb, (0, 1, 2, 3), v.bbbb.ovov, (0, 3, 1, 2), ()) * -1.0 + e_cc += einsum(t2.aaaa, (0, 1, 2, 3), v.aaaa.ovov, (0, 3, 1, 2), ()) * -1.0 + x0 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x0 += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) * -1.0 + x0 += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) + x1 = np.zeros((nocc[1], nvir[1]), dtype=types[float]) + x1 += einsum(f.bb.ov, (0, 1), (0, 1)) + x1 += einsum(t1.aa, (0, 1), v.aabb.ovov, (0, 1, 2, 3), (2, 3)) + x1 += einsum(t1.bb, (0, 1), x0, (0, 2, 3, 1), (2, 3)) * -0.5 + del x0 + e_cc += einsum(t1.bb, (0, 1), x1, (0, 1), ()) + del x1 + x2 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x2 += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) + x2 += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) * -1.0 + x3 = np.zeros((nocc[0], nvir[0]), dtype=types[float]) + x3 += einsum(f.aa.ov, (0, 1), (0, 1)) + x3 += einsum(t1.aa, (0, 1), x2, (0, 2, 1, 3), (2, 3)) * -0.5 + del x2 + e_cc += einsum(t1.aa, (0, 1), x3, (0, 1), ()) + del x3 + + return e_cc + +def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs): + t1new = Namespace() + t2new = Namespace() + t3new = Namespace() + + nocc = (space[0].ncocc, space[1].ncocc) + nvir = (space[0].ncvir, space[1].ncvir) + naocc = (space[0].naocc, space[1].naocc) + navir = (space[0].navir, space[1].navir) + soa = np.ones((nocc[0],), dtype=bool) + sva = np.ones((nvir[0],), dtype=bool) + sob = np.ones((nocc[1],), dtype=bool) + svb = np.ones((nvir[1],), dtype=bool) + sOa = space[0].active[space[0].correlated][space[0].occupied[space[0].correlated]] + sVa = space[0].active[space[0].correlated][space[0].virtual[space[0].correlated]] + sOb = space[1].active[space[1].correlated][space[1].occupied[space[1].correlated]] + sVb = space[1].active[space[1].correlated][space[1].virtual[space[1].correlated]] + sOfa = np.ones((naocc[0],), dtype=bool) + sVfa = np.ones((navir[0],), dtype=bool) + sOfb = np.ones((naocc[1],), dtype=bool) + sVfb = np.ones((navir[1],), dtype=bool) + + # T amplitudes + t1new_bb = np.zeros((nocc[1], nvir[1]), dtype=types[float]) + t1new_bb[np.ix_(sob,svb)] += einsum(f.bb.ov, (0, 1), (0, 1)) + t1new_bb[np.ix_(sob,svb)] += einsum(f.bb.oo, (0, 1), t1.bb[np.ix_(sob,svb)], (1, 2), (0, 2)) * -1.0 + t1new_bb[np.ix_(sob,svb)] += einsum(f.bb.vv, (0, 1), t1.bb[np.ix_(sob,svb)], (2, 1), (2, 0)) + t1new_bb[np.ix_(sob,svb)] += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 1, 3), (2, 3)) + t1new_bb[np.ix_(sob,svb)] += einsum(f.bb.ov, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 0, 3, 1), (2, 3)) * 2.0 + t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oovv, (2, 0, 3, 1), (2, 3)) * -1.0 + t1new_bb[np.ix_(sob,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 1), (4, 3)) * -1.0 + t1new_bb[np.ix_(sob,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 2, 4, 3), (1, 4)) + t1new_bb[np.ix_(sob,svb)] += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 2, 1, 5, 3), (4, 5)) + t1new_bb[np.ix_(sob,svb)] += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 2, 5, 1, 3), (4, 5)) * 2.0 + t1new_bb[np.ix_(sob,svb)] += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 0, 2, 5, 1, 3), (4, 5)) * 3.0 + t1new_aa = np.zeros((nocc[0], nvir[0]), dtype=types[float]) + t1new_aa[np.ix_(soa,sva)] += einsum(f.aa.ov, (0, 1), (0, 1)) + t1new_aa[np.ix_(soa,sva)] += einsum(f.aa.oo, (0, 1), t1.aa[np.ix_(soa,sva)], (1, 2), (0, 2)) * -1.0 + t1new_aa[np.ix_(soa,sva)] += einsum(f.aa.vv, (0, 1), t1.aa[np.ix_(soa,sva)], (2, 1), (2, 0)) + t1new_aa[np.ix_(soa,sva)] += einsum(f.bb.ov, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 1), (2, 3)) + t1new_aa[np.ix_(soa,sva)] += einsum(f.aa.ov, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 0, 3, 1), (2, 3)) * 2.0 + t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oovv, (2, 0, 3, 1), (2, 3)) * -1.0 + t1new_aa[np.ix_(soa,sva)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 1, 3), (4, 2)) * -1.0 + t1new_aa[np.ix_(soa,sva)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 1, 3), (0, 4)) + t1new_aa[np.ix_(soa,sva)] += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 0, 5, 3, 1), (4, 5)) * 2.0 + t1new_aa[np.ix_(soa,sva)] += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 4, 2, 1, 5, 3), (4, 5)) + t1new_aa[np.ix_(soa,sva)] += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 2, 5, 1, 3), (4, 5)) * 3.0 + t2new_aaaa = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) * -1.0 + t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(f.bb.ov, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(f.aa.OV, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 + t2new_abab = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.aa.oo, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.bb.oo, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.aa.vv, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 3, 0, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.bb.vv, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ooov, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovoo, (2, 3, 4, 0), (2, 4, 3, 1)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.aa.OV, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.bb.OV, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * 2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oooo, (4, 0, 5, 1), (4, 5, 2, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oovv, (4, 1, 5, 3), (0, 4, 2, 5)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oovv, (4, 0, 5, 3), (4, 1, 2, 5)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oovv, (4, 0, 5, 2), (4, 1, 5, 3)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvoo, (4, 2, 5, 1), (0, 5, 4, 3)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvvv, (4, 2, 5, 3), (0, 1, 4, 5)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aabb.ovov, (1, 3, 4, 5), (0, 4, 2, 5)) * 2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aaaa.ooOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 2, 5, 6, 3), (0, 4, 5, 6)) * -2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.OVoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 0, 5, 6, 1), (4, 2, 5, 6)) * -2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aaaa.vOvV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 0, 6, 3), (4, 5, 2, 6)) * -2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.OVvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 3, 1), (4, 5, 6, 2)) * 2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.ooOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 2, 5, 6, 3), (0, 4, 6, 5)) * -2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.bbbb.ooOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 2, 5, 6, 3), (4, 0, 6, 5)) * -2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.bbbb.vOvV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 0, 6, 3), (5, 4, 6, 2)) * -2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.vvOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 2, 6, 1, 3), (5, 4, 0, 6)) * 2.0 + t2new_bbbb = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) * -1.0 + t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(f.aa.ov, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(f.bb.OV, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 + t3new_aaaaaa = np.zeros((nocc[0], nocc[0], naocc[0], nvir[0], nvir[0], navir[0]), dtype=types[float]) + t3new_aaaaaa += einsum(f.aa.OO, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_aaaaaa += einsum(f.aa.VV, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + t3new_aaaaaa = np.zeros((nocc[0], naocc[0], naocc[0], nvir[0], navir[0], navir[0]), dtype=types[float]) + t3new_aaaaaa += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 + t3new_aaaaaa += einsum(v.aaaa.oooo, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (3, 1, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * -6.0 + t3new_aaaaaa += einsum(v.aaaa.OVOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 6.0 + t3new_aaaaaa += einsum(v.aaaa.OOVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 + t3new_aaaaaa += einsum(v.aaaa.vvvv, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 3, 1, 7), (4, 5, 6, 0, 2, 7)) * -6.0 + t3new_babbab = np.zeros((nocc[1], nocc[0], naocc[1], nvir[1], nvir[0], navir[1]), dtype=types[float]) + t3new_babbab += einsum(f.bb.oo, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(f.aa.oo, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(f.bb.OO, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(f.bb.vv, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 + t3new_babbab += einsum(f.aa.vv, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 + t3new_babbab += einsum(f.bb.VV, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.bbbb.oovO, (4, 1, 5, 6), (4, 0, 6, 5, 2, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.oovO, (4, 0, 5, 6), (1, 4, 6, 5, 2, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ooOV, (4, 1, 5, 6), (4, 0, 5, 3, 2, 6)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ooOV, (4, 0, 5, 6), (1, 4, 5, 3, 2, 6)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.bbbb.ovoO, (4, 5, 1, 6), (4, 0, 6, 5, 2, 3)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oOoV, (1, 4, 5, 6), (5, 0, 4, 3, 2, 6)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.oooV, (4, 0, 5, 6), (5, 4, 1, 3, 2, 6)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (4, 5, 3, 6), (4, 0, 1, 5, 2, 6)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvv, (4, 5, 6, 3), (4, 0, 1, 6, 2, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.vvvO, (4, 2, 5, 6), (1, 0, 6, 5, 4, 3)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.vvOV, (4, 3, 5, 6), (1, 0, 5, 4, 2, 6)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvOV, (4, 2, 5, 6), (1, 0, 5, 3, 4, 6)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.vOvV, (4, 5, 3, 6), (1, 0, 5, 4, 2, 6)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.vvoV, (4, 2, 5, 6), (5, 0, 1, 3, 4, 6)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.aabb.ovoO, (4, 5, 1, 6), (0, 4, 6, 2, 5, 3)) * -2.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 5, 6, 0), (6, 4, 1, 2, 5, 3)) * -2.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.ovvV, (4, 5, 3, 6), (0, 4, 1, 2, 5, 6)) * 2.0 + t3new_babbab += einsum(v.aabb.OVOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (5, 4, 2, 7, 6, 3)) * 2.0 + t3new_babbab += einsum(v.aabb.OVvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (5, 4, 3, 2, 6, 7)) * -2.0 + t3new_babbab += einsum(v.aabb.OVoV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 7, 6, 3)) * -2.0 + t3new_babbab += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 + t3new_babbab += einsum(v.bbbb.ooOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 3, 5, 6, 7), (0, 4, 2, 5, 6, 7)) * 2.0 + t3new_babbab += einsum(v.aabb.ooOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 3, 5, 6, 7), (4, 0, 2, 5, 6, 7)) * 2.0 + t3new_babbab += einsum(v.aabb.oooo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 + t3new_babbab += einsum(v.bbbb.oovv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 + t3new_babbab += einsum(v.aabb.oovv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -2.0 + t3new_babbab += einsum(v.aaaa.oovv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 + t3new_babbab += einsum(v.bbbb.ooVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 2)) * -2.0 + t3new_babbab += einsum(v.aabb.ooVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 7, 3), (4, 0, 5, 6, 7, 2)) * -2.0 + t3new_babbab += einsum(v.bbbb.oVoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 1)) * 2.0 + t3new_babbab += einsum(v.bbbb.vOvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 2, 6, 7), (4, 5, 1, 0, 6, 7)) * 2.0 + t3new_babbab += einsum(v.bbbb.OVOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 2.0 + t3new_babbab += einsum(v.bbbb.vvOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 1, 6, 7), (4, 5, 2, 0, 6, 7)) * -2.0 + t3new_babbab += einsum(v.bbbb.OOVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 + t3new_babbab += einsum(v.aabb.vvOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 6, 1, 7), (4, 5, 2, 6, 0, 7)) * -2.0 + t3new_babbab += einsum(v.aabb.vvoo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 1, 7), (2, 4, 5, 6, 0, 7)) * -2.0 + t3new_babbab += einsum(v.aabb.vvvv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 1, 7), (4, 5, 6, 2, 0, 7)) * 2.0 + t3new_babbab += einsum(v.bbbb.vvVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) * 2.0 + t3new_babbab += einsum(v.aabb.vvVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 7, 1, 3), (4, 5, 6, 7, 0, 2)) * 2.0 + t3new_abaaba = np.zeros((nocc[0], nocc[1], naocc[0], nvir[0], nvir[1], navir[0]), dtype=types[float]) + t3new_abaaba += einsum(f.aa.oo, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(f.bb.oo, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(f.aa.OO, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(f.aa.vv, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 + t3new_abaaba += einsum(f.bb.vv, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 + t3new_abaaba += einsum(f.aa.VV, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ooOV, (4, 0, 5, 6), (4, 1, 5, 2, 3, 6)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oOoV, (0, 4, 5, 6), (5, 1, 4, 2, 3, 6)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.vvOV, (4, 2, 5, 6), (0, 1, 5, 4, 3, 6)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.vOvV, (4, 5, 2, 6), (0, 1, 5, 4, 3, 6)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.OVoo, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.OVvv, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aaaa.oovO, (4, 0, 5, 6), (4, 1, 6, 5, 3, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aaaa.ovoO, (4, 5, 0, 6), (4, 1, 6, 5, 3, 2)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vOoo, (4, 5, 6, 1), (0, 6, 5, 4, 3, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vOvv, (4, 5, 6, 3), (0, 1, 5, 4, 6, 2)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovvV, (4, 5, 2, 6), (4, 1, 0, 5, 3, 6)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oVoo, (4, 5, 6, 1), (4, 6, 0, 2, 3, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oVvv, (4, 5, 6, 3), (4, 1, 0, 2, 6, 5)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvv, (4, 5, 6, 2), (4, 1, 0, 6, 3, 5)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 5, 6, 1), (4, 6, 0, 5, 3, 2)) * -1.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aabb.oOov, (1, 4, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.vVov, (3, 4, 5, 6), (0, 5, 1, 2, 6, 4)) * 2.0 + t3new_abaaba += einsum(v.aaaa.ooOO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 3, 5, 6, 7), (0, 4, 2, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(v.aabb.oooo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(v.aaaa.oovv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 + t3new_abaaba += einsum(v.aabb.oovv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -2.0 + t3new_abaaba += einsum(v.bbbb.oovv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 + t3new_abaaba += einsum(v.aaaa.ooVV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 2)) * -2.0 + t3new_abaaba += einsum(v.aaaa.oVoV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 1)) * 2.0 + t3new_abaaba += einsum(v.aaaa.vOvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 3, 2, 6, 7), (4, 5, 1, 0, 6, 7)) * 2.0 + t3new_abaaba += einsum(v.aaaa.OVOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 2.0 + t3new_abaaba += einsum(v.aabb.OOoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(v.aaaa.vvOO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 3, 1, 6, 7), (4, 5, 2, 0, 6, 7)) * -2.0 + t3new_abaaba += einsum(v.aabb.OOvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 + t3new_abaaba += einsum(v.aaaa.OOVV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 + t3new_abaaba += einsum(v.aabb.vvoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 1, 6, 7), (4, 2, 5, 0, 6, 7)) * -2.0 + t3new_abaaba += einsum(v.aabb.vvvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) * 2.0 + t3new_abaaba += einsum(v.aaaa.vvVV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) * 2.0 + t3new_abaaba += einsum(v.aabb.VVoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 + t3new_abaaba += einsum(v.aabb.VVvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * 2.0 + t3new_abaaba += einsum(v.aabb.OVOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 2, 6, 7, 3), (5, 4, 0, 7, 6, 1)) * 2.0 + t3new_abaaba += einsum(v.aabb.vOOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 2, 6, 7, 3), (5, 4, 1, 0, 6, 7)) * -2.0 + t3new_abaaba += einsum(v.aabb.oVOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 7, 6, 1)) * -2.0 + t3new_abaaba += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 1, 6, 7)) * 2.0 + t3new_bbbbbb = np.zeros((nocc[1], nocc[1], naocc[1], nvir[1], nvir[1], navir[1]), dtype=types[float]) + t3new_bbbbbb += einsum(f.bb.OO, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_bbbbbb += einsum(f.bb.VV, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + t3new_bbbbbb = np.zeros((nocc[1], naocc[1], naocc[1], nvir[1], navir[1], navir[1]), dtype=types[float]) + t3new_bbbbbb += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (4, 5, 2, 6, 7, 3)) * 2.0 + t3new_bbbbbb += einsum(v.bbbb.oooo, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (3, 1, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * -6.0 + t3new_bbbbbb += einsum(v.bbbb.OVOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 6.0 + t3new_bbbbbb += einsum(v.bbbb.OOVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 + t3new_bbbbbb += einsum(v.bbbb.vvvv, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 3, 1, 7), (4, 5, 6, 0, 2, 7)) * -6.0 + x0 = np.zeros((nocc[1], nvir[1]), dtype=types[float]) + x0 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovov, (0, 1, 2, 3), (2, 3)) + t1new_bb[np.ix_(sob,svb)] += einsum(x0, (0, 1), (0, 1)) + t1new_bb[np.ix_(sob,svb)] += einsum(x0, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 0, 3, 1), (2, 3)) * 2.0 + t1new_aa[np.ix_(soa,sva)] += einsum(x0, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 1), (2, 3)) + t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(x0, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 + x1 = np.zeros((nocc[1], nvir[1]), dtype=types[float]) + x1 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovov, (2, 3, 0, 1), (2, 3)) + t1new_bb[np.ix_(sob,svb)] += einsum(x1, (0, 1), (0, 1)) + t1new_bb[np.ix_(sob,svb)] += einsum(x1, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 0, 3, 1), (2, 3)) * 2.0 + t1new_aa[np.ix_(soa,sva)] += einsum(x1, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 1), (2, 3)) + t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(x1, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 + x2 = np.zeros((nocc[1], nvir[1]), dtype=types[float]) + x2 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 0, 1, 3), (4, 2)) + t1new_bb[np.ix_(sob,svb)] += einsum(x2, (0, 1), (0, 1)) * -1.0 + t1new_bb[np.ix_(sob,svb)] += einsum(x2, (0, 1), (0, 1)) * -1.0 + del x2 + x3 = np.zeros((nocc[1], nvir[1]), dtype=types[float]) + x3 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 3, 4, 2), (0, 4)) * -1.0 + t1new_bb[np.ix_(sob,svb)] += einsum(x3, (0, 1), (0, 1)) * -1.0 + t1new_bb[np.ix_(sob,svb)] += einsum(x3, (0, 1), (0, 1)) * -1.0 + del x3 + x4 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) + x4 += einsum(f.bb.ov, (0, 1), t1.bb[np.ix_(sob,svb)], (2, 1), (0, 2)) + t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x4, (0, 2), (2, 1)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x4, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 4), (2, 1, 3, 4)) * -1.0 + t3new_babbab += einsum(x4, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 2, 3, 4, 5, 6), (1, 2, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x4, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 0, 3, 4, 5, 6), (2, 1, 3, 4, 5, 6)) * -2.0 + x5 = np.zeros((nvir[1], nvir[1]), dtype=types[float]) + x5 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovvv, (0, 1, 2, 3), (2, 3)) + t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x5, (2, 1), (0, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x5, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) + t3new_babbab += einsum(x5, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 + t3new_abaaba += einsum(x5, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 + x6 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) + x6 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoo, (0, 1, 2, 3), (2, 3)) + t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x6, (2, 0), (2, 1)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x6, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 + t3new_babbab += einsum(x6, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x6, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + x7 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) + x7 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ooov, (2, 0, 3, 1), (2, 3)) + t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x7, (2, 0), (2, 1)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x7, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) + t3new_babbab += einsum(x7, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 + t3new_abaaba += einsum(x7, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 + x8 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) + x8 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ooov, (2, 3, 0, 1), (2, 3)) + t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x8, (2, 0), (2, 1)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x8, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 + t3new_babbab += einsum(x8, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x8, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + x9 = np.zeros((nvir[1], nvir[1]), dtype=types[float]) + x9 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvv, (0, 2, 3, 1), (2, 3)) + t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x9, (1, 2), (0, 2)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x9, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 0), (2, 3, 4, 1)) * -1.0 + t3new_babbab += einsum(x9, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 0, 5, 6), (2, 3, 4, 1, 5, 6)) * -2.0 + t3new_abaaba += einsum(x9, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -2.0 + x10 = np.zeros((nvir[1], nvir[1]), dtype=types[float]) + x10 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvv, (0, 1, 2, 3), (2, 3)) + t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x10, (2, 1), (0, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x10, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) + t3new_babbab += einsum(x10, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 + t3new_abaaba += einsum(x10, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 + x11 = np.zeros((nocc[0], nvir[0]), dtype=types[float]) + x11 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovov, (2, 3, 0, 1), (2, 3)) + t1new_bb[np.ix_(sob,svb)] += einsum(x11, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 1, 3), (2, 3)) + t1new_aa[np.ix_(soa,sva)] += einsum(x11, (0, 1), (0, 1)) + t1new_aa[np.ix_(soa,sva)] += einsum(x11, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 0, 3, 1), (2, 3)) * 2.0 + t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(x11, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 + x12 = np.zeros((nocc[0], nvir[0]), dtype=types[float]) + x12 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovov, (2, 1, 0, 3), (2, 3)) + t1new_bb[np.ix_(sob,svb)] += einsum(x12, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 1, 3), (2, 3)) * -1.0 + t1new_aa[np.ix_(soa,sva)] += einsum(x12, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 0, 3, 1), (2, 3)) * -2.0 + t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(x12, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * -2.0 + x13 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x13 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovov, (2, 3, 4, 1), (2, 0, 4, 3)) + t1new_bb[np.ix_(sob,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x13, (0, 4, 1, 2), (4, 3)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x13, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x13, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x13, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 + x14 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) + x14 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 3), (1, 4)) + t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x14, (2, 0), (2, 1)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x14, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 + t3new_babbab += einsum(x14, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x14, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + x15 = np.zeros((nocc[0], nvir[0]), dtype=types[float]) + x15 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovov, (2, 3, 0, 1), (2, 3)) + t1new_bb[np.ix_(sob,svb)] += einsum(x15, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 1, 3), (2, 3)) + t1new_aa[np.ix_(soa,sva)] += einsum(x15, (0, 1), (0, 1)) + t1new_aa[np.ix_(soa,sva)] += einsum(x15, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 0, 3, 1), (2, 3)) * 2.0 + t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(x15, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 + x16 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x16 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) + x17 = np.zeros((nocc[1], nvir[1]), dtype=types[float]) + x17 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x16, (4, 0, 1, 3), (4, 2)) * -1.0 + t1new_bb[np.ix_(sob,svb)] += einsum(x17, (0, 1), (0, 1)) * -1.0 + t1new_bb[np.ix_(sob,svb)] += einsum(x17, (0, 1), (0, 1)) * -1.0 + del x17 + x18 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) + x18 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 2), (0, 4)) * -1.0 + x19 = np.zeros((nocc[1], nvir[1]), dtype=types[float]) + x19 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x18, (2, 0), (2, 1)) + t1new_bb[np.ix_(sob,svb)] += einsum(x19, (0, 1), (0, 1)) * -1.0 + t1new_bb[np.ix_(sob,svb)] += einsum(x19, (0, 1), (0, 1)) * -1.0 + del x19 + x20 = np.zeros((nocc[1], nvir[1]), dtype=types[float]) + x20 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovov, (2, 1, 0, 3), (2, 3)) + t1new_bb[np.ix_(sob,svb)] += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 0, 3, 1), (2, 3)) * -2.0 + t1new_aa[np.ix_(soa,sva)] += einsum(x20, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 1), (2, 3)) * -1.0 + t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(x20, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * -2.0 + x21 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) + x21 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x0, (2, 1), (0, 2)) + t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x21, (2, 0), (2, 1)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x21, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 + t3new_babbab += einsum(x21, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x21, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + x22 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) + x22 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x20, (2, 1), (0, 2)) + t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x22, (2, 0), (2, 1)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x22, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) + t3new_babbab += einsum(x22, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 + t3new_abaaba += einsum(x22, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 + x23 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) + x23 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1, (2, 1), (0, 2)) + t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x23, (2, 0), (2, 1)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x23, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 + t3new_babbab += einsum(x23, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x23, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + x24 = np.zeros((nocc[0], nvir[0]), dtype=types[float]) + x24 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooov, (4, 1, 0, 3), (4, 2)) * -1.0 + t1new_aa[np.ix_(soa,sva)] += einsum(x24, (0, 1), (0, 1)) * -1.0 + t1new_aa[np.ix_(soa,sva)] += einsum(x24, (0, 1), (0, 1)) * -1.0 + del x24 + x25 = np.zeros((nocc[0], nvir[0]), dtype=types[float]) + x25 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (1, 2, 4, 3), (0, 4)) + t1new_aa[np.ix_(soa,sva)] += einsum(x25, (0, 1), (0, 1)) * -1.0 + t1new_aa[np.ix_(soa,sva)] += einsum(x25, (0, 1), (0, 1)) * -1.0 + del x25 + x26 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x26 += einsum(f.aa.ov, (0, 1), t1.aa[np.ix_(soa,sva)], (2, 1), (0, 2)) + t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x26, (0, 2), (2, 1)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x26, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 3, 4), (1, 2, 3, 4)) * -1.0 + t3new_babbab += einsum(x26, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 3, 4, 5, 6), (2, 1, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x26, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 2, 3, 4, 5, 6), (1, 2, 3, 4, 5, 6)) * -2.0 + x27 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x27 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ooov, (2, 0, 3, 1), (2, 3)) + t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x27, (2, 0), (2, 1)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x27, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) + t3new_babbab += einsum(x27, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 + t3new_abaaba += einsum(x27, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 + x28 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x28 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ooov, (2, 3, 0, 1), (2, 3)) + t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x28, (2, 0), (2, 1)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x28, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 + t3new_babbab += einsum(x28, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x28, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + x29 = np.zeros((nvir[0], nvir[0]), dtype=types[float]) + x29 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvv, (0, 2, 3, 1), (2, 3)) + t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x29, (1, 2), (0, 2)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x29, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 0, 4), (2, 3, 1, 4)) * -1.0 + t3new_babbab += einsum(x29, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -2.0 + t3new_abaaba += einsum(x29, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 0, 5, 6), (2, 3, 4, 1, 5, 6)) * -2.0 + x30 = np.zeros((nvir[0], nvir[0]), dtype=types[float]) + x30 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvv, (0, 1, 2, 3), (2, 3)) + t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x30, (2, 1), (0, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x30, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 3, 0, 4)) + t3new_babbab += einsum(x30, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 + t3new_abaaba += einsum(x30, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 + x31 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x31 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ooov, (2, 3, 0, 1), (2, 3)) + t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x31, (2, 0), (2, 1)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x31, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 + t3new_babbab += einsum(x31, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x31, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + x32 = np.zeros((nvir[0], nvir[0]), dtype=types[float]) + x32 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vvov, (2, 3, 0, 1), (2, 3)) + t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x32, (2, 1), (0, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x32, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 3, 0, 4)) + t3new_babbab += einsum(x32, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 + t3new_abaaba += einsum(x32, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 + x33 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x33 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovov, (2, 1, 3, 4), (0, 2, 3, 4)) + t1new_aa[np.ix_(soa,sva)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x33, (4, 0, 1, 3), (4, 2)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x33, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x33, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x33, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 + x34 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x34 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 1, 3), (0, 4)) + t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x34, (2, 0), (2, 1)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x34, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 + t3new_babbab += einsum(x34, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x34, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + x35 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x35 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) + x36 = np.zeros((nocc[0], nvir[0]), dtype=types[float]) + x36 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x35, (4, 0, 1, 3), (4, 2)) * -1.0 + t1new_aa[np.ix_(soa,sva)] += einsum(x36, (0, 1), (0, 1)) * -1.0 + t1new_aa[np.ix_(soa,sva)] += einsum(x36, (0, 1), (0, 1)) * -1.0 + del x36 + x37 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x37 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 1, 3), (0, 4)) + x38 = np.zeros((nocc[0], nvir[0]), dtype=types[float]) + x38 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x37, (2, 0), (2, 1)) + t1new_aa[np.ix_(soa,sva)] += einsum(x38, (0, 1), (0, 1)) * -1.0 + t1new_aa[np.ix_(soa,sva)] += einsum(x38, (0, 1), (0, 1)) * -1.0 + del x38 + x39 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x39 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x12, (2, 1), (0, 2)) + t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x39, (2, 0), (2, 1)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x39, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) + t3new_babbab += einsum(x39, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 + t3new_abaaba += einsum(x39, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 + x40 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x40 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x11, (2, 1), (0, 2)) + t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x40, (2, 0), (2, 1)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x40, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 + t3new_babbab += einsum(x40, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x40, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + x41 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x41 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x15, (2, 1), (0, 2)) + t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x41, (2, 0), (2, 1)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x41, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 + t3new_babbab += einsum(x41, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x41, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + x42 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x42 += einsum(f.aa.oo, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (0, 2, 3, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x42, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x42, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x42 + x43 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x43 += einsum(f.aa.vv, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 0, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x43, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x43, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x43 + x44 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x44 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ooov, (2, 0, 3, 4), (2, 3, 1, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x44, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x44, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x44, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x44, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x44 + x45 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x45 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x45, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x45, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x45, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x45, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x45, (4, 0, 2, 5), (4, 1, 5, 3)) + t3new_babbab += einsum(x45, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 2, 7), (4, 0, 5, 6, 3, 7)) * 2.0 + t3new_abaaba += einsum(x45, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 2, 6, 7), (0, 4, 5, 3, 6, 7)) * 2.0 + x46 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x46 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x46, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x46, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x46, (0, 1, 2, 3), (1, 0, 3, 2)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x46, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + x47 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x47 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.oooo, (4, 0, 5, 1), (4, 5, 2, 3)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x47, (0, 1, 2, 3), (1, 0, 3, 2)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x47, (0, 1, 2, 3), (1, 0, 3, 2)) + del x47 + x48 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x48 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.oovv, (4, 1, 5, 3), (0, 4, 2, 5)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x48, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x48, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x48, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x48, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x48 + x49 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x49 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x49, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x49, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x49, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x49, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 + x50 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x50 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.vvvv, (4, 2, 5, 3), (0, 1, 4, 5)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x50, (0, 1, 2, 3), (1, 0, 3, 2)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x50, (0, 1, 2, 3), (1, 0, 3, 2)) + del x50 + x51 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x51 += einsum(v.aabb.oOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 1, 5, 3, 6), (6, 4, 0, 5)) + t2new_aaaa[np.ix_(soa,soa,sva,sVa)] += einsum(x51, (0, 1, 2, 3), (2, 1, 3, 0)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sVa)] += einsum(x51, (0, 1, 2, 3), (1, 2, 3, 0)) * -2.0 + del x51 + x52 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x52 += einsum(v.aabb.vVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 1), (5, 4, 6, 0)) + t2new_aaaa[np.ix_(soa,sOa,sva,sva)] += einsum(x52, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + t2new_aaaa[np.ix_(soa,sOa,sva,sva)] += einsum(x52, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 + del x52 + x53 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x53 += einsum(v.aaaa.ooOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 2, 5, 6, 3), (4, 0, 5, 6)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x53, (0, 1, 2, 3), (1, 0, 3, 2)) * -6.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x53, (0, 1, 2, 3), (0, 1, 3, 2)) * 6.0 + del x53 + x54 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x54 += einsum(v.aaaa.vOvV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 0, 3), (4, 5, 6, 2)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x54, (0, 1, 2, 3), (0, 1, 3, 2)) * 6.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x54, (0, 1, 2, 3), (0, 1, 2, 3)) * -6.0 + del x54 + x55 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x55 += einsum(x26, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 0, 3, 4), (1, 2, 3, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x55, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x55, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x55 + x56 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x56 += einsum(f.aa.ov, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (0, 2, 3, 4)) + x57 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x57 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x56, (0, 2, 3, 4), (2, 3, 1, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x57, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x57, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + del x57 + x58 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x58 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) + x59 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x59 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x58, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x59, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x59, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x59, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x59, (0, 1, 2, 3), (1, 0, 3, 2)) + del x59 + x60 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x60 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oooo, (2, 3, 4, 0), (2, 3, 4, 1)) + x61 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x61 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x60, (2, 0, 3, 4), (2, 3, 1, 4)) + del x60 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x61, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x61, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + del x61 + x62 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x62 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x35, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x62, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x62, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x62, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x62, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x62 + x63 = np.zeros((nocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x63 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) + x64 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x64 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x63, (2, 3, 1, 4), (0, 2, 3, 4)) + del x63 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x64, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x64, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + del x64 + x65 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x65 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) + x66 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x66 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x65, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x66, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x66, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x66, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x66, (0, 1, 2, 3), (1, 0, 3, 2)) + del x66 + x67 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x67 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vvov, (2, 1, 3, 4), (0, 3, 2, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x67, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x67, (4, 1, 5, 3), (4, 0, 5, 2)) * 2.0 + t3new_babbab += einsum(x67, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * 6.0 + x68 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x68 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x67, (4, 1, 5, 3), (4, 0, 2, 5)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x68, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x68, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x68, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x68, (0, 1, 2, 3), (1, 0, 2, 3)) + del x68 + x69 = np.zeros((nocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x69 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) + x70 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x70 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x69, (4, 5, 1, 0), (4, 5, 2, 3)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x70, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x70, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x70, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x70, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x70 + x71 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x71 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) + x72 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x72 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x71, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x72, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x72, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x72, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x72, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x72 + x73 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x73 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) + x74 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x74 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x73, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x74, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x74, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x74, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x74, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x74 + x75 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x75 += einsum(x27, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (2, 0, 3, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x75, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x75, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x75 + x76 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x76 += einsum(x28, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (2, 0, 3, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x76, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x76, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x76 + x77 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x77 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x77, (4, 0, 5, 2), (4, 1, 5, 3)) * -1.0 + t3new_babbab += einsum(x77, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 + t3new_abaaba += einsum(x77, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 + x78 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x78 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x77, (4, 1, 5, 3), (4, 0, 2, 5)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x78, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x78, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x78, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x78, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x78 + x79 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x79 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x45, (4, 1, 3, 5), (4, 0, 2, 5)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x79, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x79, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x79, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x79, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x79 + x80 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x80 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 2, 5, 3), (0, 1, 4, 5)) + x81 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x81 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x80, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x81, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x81, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x81, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x81, (0, 1, 2, 3), (0, 1, 3, 2)) + del x81 + x82 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x82 += einsum(x30, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 4, 0)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x82, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x82, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + del x82 + x83 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x83 += einsum(x29, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 0), (2, 3, 4, 1)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x83, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x83, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + del x83 + x84 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x84 += einsum(x31, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (2, 0, 3, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x84, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x84, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x84 + x85 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x85 += einsum(x32, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 4, 0)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x85, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x85, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + del x85 + x86 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x86 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vOov, (1, 2, 3, 4), (2, 0, 3, 4)) + x87 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x87 += einsum(x86, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 0, 5, 3, 6), (6, 1, 4, 5)) + del x86 + t2new_aaaa[np.ix_(soa,soa,sva,sVa)] += einsum(x87, (0, 1, 2, 3), (1, 2, 3, 0)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sVa)] += einsum(x87, (0, 1, 2, 3), (2, 1, 3, 0)) * -2.0 + del x87 + x88 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x88 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 1), (5, 4, 0, 6)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x88, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 + x89 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x89 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x88, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_aaaa[np.ix_(soa,sOa,sva,sva)] += einsum(x89, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 + t2new_aaaa[np.ix_(soa,sOa,sva,sva)] += einsum(x89, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x89 + x90 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x90 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x90, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x90, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 + x91 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x91 += einsum(x90, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x91, (0, 1, 2, 3), (0, 1, 3, 2)) * -3.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x91, (0, 1, 2, 3), (1, 0, 3, 2)) * 3.0 + del x91 + x92 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x92 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oVvO, (2, 3, 1, 4), (4, 3, 0, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x92, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) + x93 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x93 += einsum(x92, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) + del x92 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x93, (0, 1, 2, 3), (0, 1, 3, 2)) * 3.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x93, (0, 1, 2, 3), (1, 0, 3, 2)) * -3.0 + del x93 + x94 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x94 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 2, 6, 1, 3), (4, 5, 0, 6)) + x95 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x95 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x94, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x95, (0, 1, 2, 3), (0, 1, 2, 3)) * 6.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x95, (0, 1, 2, 3), (0, 1, 3, 2)) * -6.0 + del x95 + x96 = np.zeros((naocc[0], navir[0]), dtype=types[float]) + x96 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovOV, (0, 1, 2, 3), (2, 3)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x96, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x96, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 2.0 + del x96 + x97 = np.zeros((naocc[0], navir[0]), dtype=types[float]) + x97 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oVvO, (0, 2, 1, 3), (3, 2)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x97, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * -6.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x97, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * -2.0 + del x97 + x98 = np.zeros((naocc[0], navir[0]), dtype=types[float]) + x98 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVov, (2, 3, 0, 1), (2, 3)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x98, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x98, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 2.0 + del x98 + x99 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x99 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x99, (0, 1, 2, 3), (0, 1, 2, 3)) + x100 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x100 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x99, (4, 1, 5, 3), (0, 4, 2, 5)) + del x99 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x100, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x100, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + del x100 + x101 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x101 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) + x102 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x102 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x101, (4, 1, 5, 3), (0, 4, 2, 5)) + del x101 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x102, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x102, (0, 1, 2, 3), (0, 1, 3, 2)) + del x102 + x103 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x103 += einsum(x34, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (2, 0, 3, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x103, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x103, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + del x103 + x104 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x104 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x46, (4, 1, 5, 3), (0, 4, 2, 5)) + del x46 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x104, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x104, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x104, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x104, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + del x104 + x105 = np.zeros((nvir[0], nvir[0]), dtype=types[float]) + x105 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 4, 1, 3), (2, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x105, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 3, 0, 4)) * -1.0 + t3new_babbab += einsum(x105, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * -2.0 + t3new_abaaba += einsum(x105, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * -2.0 + x106 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x106 += einsum(x105, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 4, 0)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x106, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x106, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + del x106 + x107 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x107 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x49, (4, 1, 5, 3), (0, 4, 2, 5)) + del x49 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x107, (0, 1, 2, 3), (0, 1, 2, 3)) * 4.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x107, (0, 1, 2, 3), (0, 1, 3, 2)) * -4.0 + del x107 + x108 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x108 += einsum(x37, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (2, 0, 3, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x108, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x108, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x108, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x108, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x108 + x109 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x109 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) + x110 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x110 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x109, (4, 1, 5, 3), (0, 4, 2, 5)) + del x109 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x110, (0, 1, 2, 3), (0, 1, 2, 3)) * -4.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x110, (0, 1, 2, 3), (0, 1, 3, 2)) * 4.0 + del x110 + x111 = np.zeros((nvir[0], nvir[0]), dtype=types[float]) + x111 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (0, 3, 1, 4), (2, 4)) * -1.0 + x112 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x112 += einsum(x111, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 4, 0)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x112, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x112, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x112, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x112, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + del x112 + x113 = np.zeros((nocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x113 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 5, 3), (0, 1, 4, 5)) + x114 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x114 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x113, (4, 5, 0, 1), (5, 4, 2, 3)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x114, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x114, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + del x114 + x115 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x115 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x69, (2, 3, 4, 0), (2, 4, 3, 1)) + x116 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x116 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x115, (2, 0, 3, 4), (2, 3, 1, 4)) + del x115 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x116, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x116, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x116, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x116, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x116 + x117 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x117 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x45, (2, 3, 1, 4), (0, 2, 3, 4)) + x118 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x118 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x117, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x118, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x118, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x118, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x118, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x118 + x119 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x119 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x33, (4, 5, 1, 3), (4, 0, 5, 2)) + x120 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x120 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x119, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x120, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x120, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x120, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x120, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x120 + x121 = np.zeros((nocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x121 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x35, (2, 3, 4, 1), (2, 0, 4, 3)) + x122 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x122 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x121, (4, 5, 0, 1), (5, 4, 2, 3)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x122, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x122, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + del x122 + x123 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x123 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x35, (4, 1, 5, 3), (4, 0, 5, 2)) + x124 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x124 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x123, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x124, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x124, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x124, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x124, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x124 + x125 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x125 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x35, (4, 5, 1, 3), (4, 0, 5, 2)) + x126 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x126 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x125, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x126, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x126, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x126, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x126, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x126 + x127 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x127 += einsum(x39, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (0, 2, 3, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x127, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x127, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x127 + x128 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x128 += einsum(x40, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (0, 2, 3, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x128, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x128, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x128 + x129 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x129 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x113, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 + x130 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x130 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x129, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 + del x129 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x130, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x130, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + del x130 + x131 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x131 += einsum(x11, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 0, 4)) + x132 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x132 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x131, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x132, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x132, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + del x132 + x133 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x133 += einsum(x12, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 0, 4)) + x134 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x134 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x133, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x134, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x134, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + del x134 + x135 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x135 += einsum(x41, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (0, 2, 3, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x135, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x135, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x135 + x136 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x136 += einsum(x15, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 0, 4)) + x137 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x137 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x136, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x137, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x137, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + del x137 + x138 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x138 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x121, (2, 3, 0, 4), (3, 2, 4, 1)) + x139 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x139 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x138, (2, 3, 0, 4), (2, 3, 1, 4)) + del x138 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x139, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x139, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + del x139 + x140 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x140 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovvv, (2, 3, 4, 1), (2, 0, 3, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x140, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x140, (1, 4, 3, 5), (0, 4, 2, 5)) * 2.0 + t3new_abaaba += einsum(x140, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 5, 6, 2, 7), (4, 1, 5, 6, 3, 7)) * 6.0 + x141 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x141 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 2), (4, 1, 5, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x141, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x141, (1, 4, 3, 5), (0, 4, 2, 5)) * 2.0 + x142 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x142 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 3), (4, 0, 5, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x142, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x142, (1, 4, 3, 5), (0, 4, 2, 5)) * 4.0 + x143 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x143 += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (0, 2, 3, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x143, (0, 2, 3, 4), (2, 3, 1, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x143, (0, 4, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x143, (0, 4, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 + del x143 + x144 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x144 += einsum(f.bb.ov, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 0, 3, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x144, (2, 0, 3, 4), (2, 3, 4, 1)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x144, (4, 0, 5, 6), (5, 4, 1, 2, 6, 3)) * -2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x144, (4, 1, 5, 6), (4, 5, 0, 6, 3, 2)) * -1.0 + del x144 + x145 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x145 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oovv, (2, 3, 4, 1), (2, 3, 0, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x145, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x145, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x145, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 + del x145 + x146 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x146 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oooo, (2, 3, 4, 0), (2, 3, 4, 1)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x146, (2, 0, 3, 4), (2, 3, 1, 4)) + del x146 + x147 = np.zeros((nocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x147 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x147, (2, 3, 1, 4), (0, 2, 3, 4)) + del x147 + x148 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x148 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vvoo, (2, 1, 3, 4), (0, 3, 4, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x148, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x148, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x148, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 + del x148 + x149 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x149 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 2), (4, 5, 1, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x149, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x149, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x149, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 + del x149 + x150 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x150 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 2), (4, 5, 1, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x150, (2, 0, 3, 4), (2, 3, 1, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x150, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x150, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * 2.0 + del x150 + x151 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x151 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoo, (2, 1, 3, 4), (0, 2, 3, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x151, (4, 0, 5, 1), (4, 5, 2, 3)) + t3new_babbab += einsum(x151, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(x151, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 + x152 = np.zeros((nocc[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x152 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x152, (4, 0, 5, 3), (4, 1, 2, 5)) * -1.0 + t3new_babbab += einsum(x152, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -2.0 + t3new_abaaba += einsum(x152, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -2.0 + del x152 + x153 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x153 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 2, 5, 1), (0, 4, 5, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x153, (2, 0, 3, 4), (2, 3, 1, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x153, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x153, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * 2.0 + del x153 + x154 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x154 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 2, 5, 3), (0, 4, 1, 5)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x154, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x154, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x154, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 + del x154 + x155 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x155 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 3), (4, 5, 0, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x155, (2, 0, 3, 4), (2, 3, 1, 4)) * -2.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x155, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -2.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x155, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -4.0 + del x155 + x156 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x156 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ooov, (2, 3, 4, 1), (2, 3, 0, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x156, (4, 0, 5, 1), (4, 5, 2, 3)) + t3new_babbab += einsum(x156, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(x156, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 + x157 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x157 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x157, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x157, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x157, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 + del x157 + x158 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x158 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x158, (2, 3, 0, 4), (2, 3, 4, 1)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x158, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * 2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x158, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) + del x158 + x159 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x159 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 5, 3), (4, 1, 5, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x159, (2, 3, 0, 4), (2, 3, 4, 1)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x159, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * 2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x159, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) + del x159 + x160 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x160 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x160, (4, 1, 5, 3), (0, 4, 2, 5)) * -1.0 + t3new_babbab += einsum(x160, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 + t3new_abaaba += einsum(x160, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 + x161 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x161 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x161, (4, 1, 3, 5), (0, 4, 2, 5)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x161, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x161, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x161, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x161, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + t3new_babbab += einsum(x161, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 2, 6, 7), (0, 4, 5, 3, 6, 7)) * 2.0 + t3new_abaaba += einsum(x161, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 2, 7), (4, 0, 5, 6, 3, 7)) * 2.0 + x162 = np.zeros((nocc[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x162 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vvov, (2, 3, 4, 1), (0, 4, 2, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x162, (4, 1, 5, 2), (0, 4, 5, 3)) * -1.0 + t3new_babbab += einsum(x162, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -2.0 + t3new_abaaba += einsum(x162, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -2.0 + x163 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x163 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 5, 3), (0, 1, 5, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x163, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x163, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x163, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 + del x163 + x164 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x164 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aabb.ovoo, (1, 3, 4, 5), (0, 4, 5, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x164, (2, 3, 0, 4), (2, 3, 4, 1)) * -2.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x164, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -4.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x164, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -2.0 + del x164 + x165 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x165 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 2, 1, 6, 3), (4, 0, 5, 6)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x165, (2, 0, 3, 4), (2, 3, 1, 4)) * -2.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x165, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -2.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x165, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -4.0 + del x165 + x166 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x166 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x166, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 0, 5, 6, 1), (2, 4, 6, 5)) * -2.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x166, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 + x167 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x167 += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 2, 6, 1, 3), (5, 0, 4, 6)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x167, (2, 0, 3, 4), (2, 3, 1, 4)) * -2.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x167, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -2.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x167, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -4.0 + del x167 + x168 = np.zeros((naocc[1], navir[1]), dtype=types[float]) + x168 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovOV, (0, 1, 2, 3), (2, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x168, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x168, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 + del x168 + x169 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x169 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVov, (2, 3, 4, 1), (2, 3, 0, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x169, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 0, 5, 6, 1), (4, 2, 5, 6)) * -2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x169, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 + x170 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x170 += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 3, 1), (4, 5, 2, 6)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x170, (2, 3, 0, 4), (2, 3, 4, 1)) * -2.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x170, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -4.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x170, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -2.0 + del x170 + x171 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x171 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x171, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 0, 5, 6, 1), (4, 2, 6, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x171, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + x172 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x172 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oVvO, (2, 3, 1, 4), (4, 3, 0, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x172, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 0, 5, 6, 1), (4, 2, 6, 5)) + x173 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x173 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x173, (2, 3, 0, 4), (2, 3, 4, 1)) * -2.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x173, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -4.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x173, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -2.0 + del x173 + x174 = np.zeros((naocc[1], navir[1]), dtype=types[float]) + x174 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovOV, (0, 1, 2, 3), (2, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x174, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x174, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 + del x174 + x175 = np.zeros((naocc[1], navir[1]), dtype=types[float]) + x175 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oVvO, (0, 2, 1, 3), (3, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x175, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x175, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * -6.0 + del x175 + x176 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x176 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 5, 3), (0, 4, 1, 5)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x176, (4, 0, 5, 1), (4, 5, 2, 3)) + t3new_babbab += einsum(x176, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(x176, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 + x177 = np.zeros((nvir[1], nvir[1]), dtype=types[float]) + x177 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 1, 4), (3, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x177, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) * -1.0 + t3new_babbab += einsum(x177, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * -2.0 + t3new_abaaba += einsum(x177, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * -2.0 + x178 = np.zeros((nocc[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x178 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 4, 5, 3), (1, 5, 2, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x178, (4, 1, 5, 2), (0, 4, 5, 3)) + del x178 + x179 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x179 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 5), (1, 4, 3, 5)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x179, (4, 1, 5, 3), (0, 4, 2, 5)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x179, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x179, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x179, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x179, (0, 1, 2, 3), (1, 0, 3, 2)) + del x179 + x180 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x180 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x180, (4, 1, 5, 3), (0, 4, 2, 5)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x180, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x180, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x180, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x180, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 + x181 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x181 += einsum(x18, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x181, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x181, (0, 1, 2, 3), (0, 1, 2, 3)) + del x181 + x182 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x182 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x182, (4, 1, 5, 3), (0, 4, 2, 5)) * -2.0 + x183 = np.zeros((nvir[1], nvir[1]), dtype=types[float]) + x183 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (0, 4, 1, 3), (2, 4)) + x184 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x184 += einsum(x183, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x184, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x184, (0, 1, 2, 3), (0, 1, 2, 3)) + del x184 + x185 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x185 += einsum(x111, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 3, 0, 4)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x185, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x185, (0, 1, 2, 3), (0, 1, 2, 3)) + del x185 + x186 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x186 += einsum(x37, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x186, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x186, (0, 1, 2, 3), (0, 1, 2, 3)) + del x186 + x187 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x187 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 0, 5), (4, 1, 5, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x187, (1, 4, 3, 5), (0, 4, 2, 5)) * -2.0 + x188 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x188 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x140, (2, 3, 1, 4), (0, 2, 3, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x188, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x188, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x188, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 + del x188 + x189 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x189 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x151, (2, 3, 4, 0), (2, 3, 4, 1)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x189, (2, 0, 3, 4), (2, 3, 1, 4)) + del x189 + x190 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x190 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x156, (2, 3, 4, 0), (3, 2, 4, 1)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x190, (0, 2, 3, 4), (2, 3, 1, 4)) + del x190 + x191 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x191 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x162, (2, 3, 4, 1), (0, 2, 3, 4)) + del x162 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x191, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x191, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x191, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 + del x191 + x192 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x192 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x35, (4, 0, 5, 2), (4, 5, 1, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x192, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x192, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x192, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 + del x192 + x193 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x193 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x35, (4, 5, 0, 2), (4, 5, 1, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x193, (2, 0, 3, 4), (2, 3, 1, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x193, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x193, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * 2.0 + del x193 + x194 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x194 += einsum(x11, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x194, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x194, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x194, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 + del x194 + x195 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x195 += einsum(x12, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x195, (2, 0, 3, 4), (2, 3, 1, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x195, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x195, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * 2.0 + del x195 + x196 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x196 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x33, (4, 5, 1, 3), (4, 5, 0, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x196, (2, 0, 3, 4), (2, 3, 1, 4)) * -2.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x196, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -2.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x196, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -4.0 + del x196 + x197 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x197 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x13, (2, 3, 4, 1), (0, 2, 3, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x197, (4, 0, 5, 1), (4, 5, 2, 3)) + t3new_babbab += einsum(x197, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(x197, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 + x198 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x198 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x33, (4, 0, 5, 3), (4, 1, 5, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x198, (2, 3, 0, 4), (2, 3, 4, 1)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x198, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * 2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x198, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) + del x198 + x199 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x199 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x13, (4, 5, 1, 2), (0, 4, 5, 3)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x199, (2, 0, 3, 4), (2, 3, 1, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x199, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x199, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * 2.0 + del x199 + x200 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x200 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x176, (2, 3, 4, 0), (2, 3, 4, 1)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x200, (2, 0, 3, 4), (2, 3, 1, 4)) + del x200 + x201 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x201 += einsum(x15, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x201, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x201, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x201, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 + del x201 + x202 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x202 += einsum(x0, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x202, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x202, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x202, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 + del x202 + x203 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x203 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x16, (4, 1, 5, 3), (0, 4, 5, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x203, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x203, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x203, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 + del x203 + x204 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x204 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x16, (4, 5, 1, 3), (0, 4, 5, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x204, (2, 3, 0, 4), (2, 3, 4, 1)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x204, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * 2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x204, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) + del x204 + x205 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x205 += einsum(x1, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x205, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x205, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x205, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 + del x205 + x206 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x206 += einsum(x20, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x206, (2, 3, 0, 4), (2, 3, 4, 1)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x206, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * 2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x206, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) + del x206 + x207 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x207 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x13, (1, 4, 5, 3), (0, 4, 5, 2)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x207, (2, 3, 0, 4), (2, 3, 4, 1)) * -2.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x207, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -4.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x207, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -2.0 + del x207 + x208 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x208 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x197, (2, 3, 4, 0), (2, 3, 4, 1)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x208, (2, 0, 3, 4), (2, 3, 1, 4)) + del x208 + x209 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x209 += einsum(f.bb.oo, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (0, 2, 3, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x209, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x209, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x209 + x210 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x210 += einsum(f.bb.vv, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x210, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x210, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x210 + x211 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x211 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ooov, (2, 0, 3, 4), (2, 3, 1, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x211, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x211, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x211, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x211, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x211 + x212 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x212 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.oooo, (4, 0, 5, 1), (4, 5, 2, 3)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x212, (0, 1, 2, 3), (1, 0, 3, 2)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x212, (0, 1, 2, 3), (1, 0, 3, 2)) + del x212 + x213 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x213 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.oovv, (4, 1, 5, 3), (0, 4, 2, 5)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x213, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x213, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x213, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x213, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x213 + x214 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x214 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.vvvv, (4, 2, 5, 3), (0, 1, 4, 5)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x214, (0, 1, 2, 3), (1, 0, 3, 2)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x214, (0, 1, 2, 3), (1, 0, 3, 2)) + del x214 + x215 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x215 += einsum(v.aabb.ovoO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 3, 5, 1, 6), (6, 4, 2, 5)) + t2new_bbbb[np.ix_(sob,sob,svb,sVb)] += einsum(x215, (0, 1, 2, 3), (2, 1, 3, 0)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,sVb)] += einsum(x215, (0, 1, 2, 3), (1, 2, 3, 0)) * -2.0 + del x215 + x216 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x216 += einsum(v.aabb.ovvV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 3), (5, 4, 6, 2)) + t2new_bbbb[np.ix_(sob,sOb,svb,svb)] += einsum(x216, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + t2new_bbbb[np.ix_(sob,sOb,svb,svb)] += einsum(x216, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 + del x216 + x217 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x217 += einsum(v.bbbb.ooOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 2, 5, 6, 3), (4, 0, 5, 6)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x217, (0, 1, 2, 3), (1, 0, 3, 2)) * -6.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x217, (0, 1, 2, 3), (0, 1, 3, 2)) * 6.0 + del x217 + x218 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x218 += einsum(v.bbbb.vOvV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 0, 3), (4, 5, 6, 2)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x218, (0, 1, 2, 3), (0, 1, 3, 2)) * 6.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x218, (0, 1, 2, 3), (0, 1, 2, 3)) * -6.0 + del x218 + x219 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x219 += einsum(x4, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 0, 3, 4), (1, 2, 3, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x219, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x219, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x219 + x220 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x220 += einsum(f.bb.ov, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (0, 2, 3, 4)) + x221 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x221 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x220, (0, 2, 3, 4), (2, 3, 1, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x221, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x221, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + del x221 + x222 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x222 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) + x223 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x223 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x222, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x223, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x223, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x223, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x223, (0, 1, 2, 3), (1, 0, 3, 2)) + del x223 + x224 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x224 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oooo, (2, 3, 4, 0), (2, 3, 4, 1)) + x225 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x225 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x224, (2, 0, 3, 4), (2, 3, 1, 4)) + del x224 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x225, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x225, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + del x225 + x226 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x226 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x16, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x226, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x226, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x226, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x226, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x226 + x227 = np.zeros((nocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x227 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) + x228 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x228 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x227, (2, 3, 1, 4), (0, 2, 3, 4)) + del x227 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x228, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x228, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + del x228 + x229 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x229 += einsum(x6, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x229, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x229, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x229 + x230 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x230 += einsum(x5, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x230, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x230, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + del x230 + x231 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x231 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x140, (0, 4, 2, 5), (4, 1, 3, 5)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x231, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x231, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x231, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x231, (0, 1, 2, 3), (1, 0, 2, 3)) + del x231 + x232 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x232 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 5), (1, 4, 5, 3)) + x233 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x233 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x232, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x233, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x233, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x233, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x233, (0, 1, 2, 3), (1, 0, 3, 2)) + del x233 + x234 = np.zeros((nocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x234 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) + x235 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x235 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x234, (4, 5, 0, 1), (4, 5, 2, 3)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x235, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x235, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x235, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x235, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x235 + x236 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x236 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) + x237 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x237 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x236, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x237, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x237, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x237, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x237, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x237 + x238 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x238 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) + x239 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x239 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x238, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x239, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x239, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x239, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x239, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x239 + x240 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x240 += einsum(x7, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x240, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x240, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x240 + x241 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x241 += einsum(x8, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x241, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x241, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x241 + x242 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x242 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x160, (4, 1, 5, 3), (4, 0, 2, 5)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x242, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x242, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x242, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x242, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x242 + x243 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x243 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x161, (4, 1, 3, 5), (4, 0, 2, 5)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x243, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x243, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x243, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x243, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x243 + x244 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x244 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 2, 5, 3), (0, 1, 4, 5)) + x245 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x245 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x244, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x245, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x245, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x245, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x245, (0, 1, 2, 3), (0, 1, 3, 2)) + del x245 + x246 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x246 += einsum(x10, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x246, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x246, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + del x246 + x247 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x247 += einsum(x9, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 0), (2, 3, 4, 1)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x247, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x247, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + del x247 + x248 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x248 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovvO, (2, 3, 1, 4), (4, 2, 0, 3)) + x249 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x249 += einsum(x248, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 0, 5, 3, 6), (6, 2, 4, 5)) + del x248 + t2new_bbbb[np.ix_(sob,sob,svb,sVb)] += einsum(x249, (0, 1, 2, 3), (1, 2, 3, 0)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,sVb)] += einsum(x249, (0, 1, 2, 3), (2, 1, 3, 0)) * -2.0 + del x249 + x250 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x250 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 3), (5, 4, 2, 6)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x250, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 + x251 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x251 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x250, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_bbbb[np.ix_(sob,sOb,svb,svb)] += einsum(x251, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 + t2new_bbbb[np.ix_(sob,sOb,svb,svb)] += einsum(x251, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x251 + x252 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x252 += einsum(x171, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x252, (0, 1, 2, 3), (0, 1, 3, 2)) * -3.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x252, (0, 1, 2, 3), (1, 0, 3, 2)) * 3.0 + del x252 + x253 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x253 += einsum(x172, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) + del x172 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x253, (0, 1, 2, 3), (0, 1, 3, 2)) * 3.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x253, (0, 1, 2, 3), (1, 0, 3, 2)) * -3.0 + del x253 + x254 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x254 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 2, 6, 1, 3), (4, 5, 0, 6)) + x255 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x255 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x254, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x255, (0, 1, 2, 3), (0, 1, 2, 3)) * 6.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x255, (0, 1, 2, 3), (0, 1, 3, 2)) * -6.0 + del x255 + x256 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x256 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x141, (0, 4, 2, 5), (4, 1, 5, 3)) + del x141 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x256, (0, 1, 2, 3), (1, 0, 3, 2)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x256, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 + del x256 + x257 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x257 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x187, (0, 4, 2, 5), (4, 1, 5, 3)) + del x187 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x257, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x257, (0, 1, 2, 3), (1, 0, 2, 3)) + del x257 + x258 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x258 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x142, (0, 4, 2, 5), (1, 4, 3, 5)) + del x142 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x258, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x258, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x258, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x258, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + del x258 + x259 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x259 += einsum(x14, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x259, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x259, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x259 + x260 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x260 += einsum(x177, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x260, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x260, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + del x260 + x261 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x261 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x180, (4, 1, 5, 3), (4, 0, 5, 2)) + del x180 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x261, (0, 1, 2, 3), (0, 1, 2, 3)) * 4.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x261, (0, 1, 2, 3), (0, 1, 3, 2)) * -4.0 + del x261 + x262 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x262 += einsum(x18, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x262, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x262, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x262, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x262, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x262 + x263 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x263 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x182, (4, 1, 5, 3), (4, 0, 5, 2)) + del x182 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x263, (0, 1, 2, 3), (0, 1, 2, 3)) * -4.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x263, (0, 1, 2, 3), (0, 1, 3, 2)) * 4.0 + del x263 + x264 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x264 += einsum(x183, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x264, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x264, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x264, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x264, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + del x264 + x265 = np.zeros((nocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x265 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 2, 5, 3), (0, 1, 4, 5)) + x266 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x266 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x265, (4, 5, 0, 1), (5, 4, 2, 3)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x266, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x266, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + del x266 + x267 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x267 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x234, (2, 3, 4, 0), (2, 4, 3, 1)) + x268 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x268 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x267, (2, 0, 3, 4), (2, 3, 1, 4)) + del x267 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x268, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x268, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x268, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x268, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x268 + x269 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x269 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x161, (2, 3, 1, 4), (0, 2, 3, 4)) + x270 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x270 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x269, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x270, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x270, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x270, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x270, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x270 + x271 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x271 += einsum(x21, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (0, 2, 3, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x271, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x271, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x271 + x272 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x272 += einsum(x0, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) + x273 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x273 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x272, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x273, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x273, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + del x273 + x274 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x274 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x13, (0, 4, 5, 2), (4, 1, 5, 3)) + x275 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x275 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x274, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x275, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x275, (0, 1, 2, 3), (0, 1, 3, 2)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x275, (0, 1, 2, 3), (1, 0, 2, 3)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x275, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 + del x275 + x276 = np.zeros((nocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x276 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x16, (2, 3, 4, 1), (2, 0, 4, 3)) + x277 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x277 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x276, (4, 5, 1, 0), (5, 4, 2, 3)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x277, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x277, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + del x277 + x278 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x278 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x16, (4, 1, 5, 3), (4, 0, 5, 2)) + x279 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x279 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x278, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x279, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x279, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x279, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x279, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x279 + x280 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x280 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x16, (4, 5, 1, 3), (4, 0, 5, 2)) + x281 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x281 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x280, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x281, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x281, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x281, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x281, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x281 + x282 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x282 += einsum(x22, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (0, 2, 3, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x282, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x282, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 + del x282 + x283 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x283 += einsum(x23, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (0, 2, 3, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x283, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x283, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 + del x283 + x284 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x284 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x265, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 + x285 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x285 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x284, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 + del x284 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x285, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x285, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + del x285 + x286 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x286 += einsum(x1, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) + x287 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x287 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x286, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x287, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x287, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 + del x287 + x288 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x288 += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) + x289 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x289 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x288, (2, 3, 0, 4), (2, 3, 1, 4)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x289, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x289, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 + del x289 + x290 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x290 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x276, (2, 3, 0, 4), (3, 2, 4, 1)) + x291 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x291 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x290, (2, 3, 0, 4), (2, 3, 1, 4)) + del x290 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x291, (0, 1, 2, 3), (0, 1, 2, 3)) + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x291, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 + del x291 + x292 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x292 += einsum(f.aa.oo, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + t3new_aaaaaa += einsum(x292, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x292, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x292 + x293 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x293 += einsum(f.aa.vv, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + t3new_aaaaaa += einsum(x293, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x293, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x293 + x294 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x294 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oovO, (4, 1, 5, 6), (6, 3, 0, 4, 2, 5)) * -1.0 + t3new_aaaaaa += einsum(x294, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x294, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x294, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x294, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x294 + x295 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x295 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooOV, (4, 1, 5, 6), (5, 6, 0, 4, 2, 3)) + t3new_aaaaaa += einsum(x295, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x295, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x295 + x296 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x296 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (4, 5, 1, 6), (6, 3, 0, 4, 2, 5)) * -1.0 + t3new_aaaaaa += einsum(x296, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x296, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x296, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x296, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + del x296 + x297 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x297 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.oOoV, (1, 4, 5, 6), (4, 6, 0, 5, 2, 3)) + t3new_aaaaaa += einsum(x297, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x297, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x297 + x298 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x298 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.oooV, (4, 0, 5, 6), (1, 6, 5, 4, 2, 3)) * -1.0 + t3new_aaaaaa += einsum(x298, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x298, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x298 + x299 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x299 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 6), (1, 3, 4, 5, 2, 6)) + t3new_aaaaaa += einsum(x299, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x299, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x299, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x299, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x299 + x300 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x300 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (4, 5, 3, 6), (1, 6, 0, 4, 2, 5)) * -1.0 + t3new_aaaaaa += einsum(x300, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x300, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x300, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x300, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + del x300 + x301 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x301 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + t3new_aaaaaa += einsum(x301, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x301, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x301, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x301, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x301, (4, 5, 6, 0, 2, 7), (6, 1, 4, 7, 3, 5)) * 2.0 + x302 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x302 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.oVvv, (4, 5, 6, 3), (1, 5, 0, 4, 2, 6)) * -1.0 + t3new_aaaaaa += einsum(x302, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x302, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x302, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x302, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x302 + x303 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x303 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.vvvO, (4, 2, 5, 6), (6, 3, 0, 1, 5, 4)) * -1.0 + t3new_aaaaaa += einsum(x303, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x303, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x303 + x304 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x304 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.vvOV, (4, 3, 5, 6), (5, 6, 0, 1, 2, 4)) + t3new_aaaaaa += einsum(x304, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x304, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + del x304 + x305 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x305 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.vOvV, (4, 5, 3, 6), (5, 6, 0, 1, 2, 4)) + t3new_aaaaaa += einsum(x305, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x305, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x305 + x306 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x306 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) + t3new_aaaaaa += einsum(x306, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x306, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x306, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x306, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x306, (4, 5, 6, 0, 7, 2), (6, 1, 4, 7, 3, 5)) * 2.0 + x307 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x307 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 1, 4, 0, 6)) + t3new_aaaaaa = np.zeros((nocc[0], nocc[0], naocc[0], nvir[0], navir[0], navir[0]), dtype=types[float]) + t3new_aaaaaa += einsum(x307, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 1, 2)) * 2.0 + t3new_aaaaaa += einsum(x307, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 1, 2)) * -2.0 + del x307 + x308 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x308 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 1, 7, 4, 6, 0)) + t3new_aaaaaa = np.zeros((nocc[0], naocc[0], naocc[0], nvir[0], nvir[0], navir[0]), dtype=types[float]) + t3new_aaaaaa += einsum(x308, (0, 1, 2, 3, 4, 5), (3, 0, 1, 5, 4, 2)) * 2.0 + t3new_aaaaaa += einsum(x308, (0, 1, 2, 3, 4, 5), (3, 0, 1, 4, 5, 2)) * -2.0 + del x308 + x309 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x309 += einsum(v.aaaa.ooOO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 3, 5, 6, 7), (2, 7, 4, 0, 5, 6)) + t3new_aaaaaa += einsum(x309, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x309, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x309 + x310 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x310 += einsum(v.aaaa.oovv, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 6, 2)) + t3new_aaaaaa += einsum(x310, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x310, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 + t3new_aaaaaa += einsum(x310, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x310, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + del x310 + x311 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x311 += einsum(v.aaaa.ooVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 7, 3), (5, 2, 4, 0, 6, 7)) + t3new_aaaaaa += einsum(x311, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x311, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x311 + x312 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x312 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) + t3new_aaaaaa += einsum(x312, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x312, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x312, (4, 5, 6, 0, 7, 2), (6, 1, 4, 7, 3, 5)) * 6.0 + x313 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x313 += einsum(v.aaaa.oVoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 7, 3), (5, 1, 4, 0, 6, 7)) + t3new_aaaaaa += einsum(x313, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x313, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x313 + x314 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x314 += einsum(v.aaaa.vOvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 6, 0)) + t3new_aaaaaa += einsum(x314, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x314, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + del x314 + x315 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x315 += einsum(v.aaaa.vvOO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 6, 0)) + t3new_aaaaaa += einsum(x315, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x315, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + del x315 + x316 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x316 += einsum(v.aaaa.vvVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 7, 0)) + t3new_aaaaaa += einsum(x316, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x316, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + del x316 + x317 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x317 += einsum(x26, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 0, 3, 4, 5, 6), (3, 6, 1, 2, 4, 5)) + del x26 + t3new_aaaaaa += einsum(x317, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x317, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x317 + x318 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x318 += einsum(f.aa.ov, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) + x319 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x319 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x318, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) + del x318 + t3new_aaaaaa += einsum(x319, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_aaaaaa += einsum(x319, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x319 + x320 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x320 += einsum(f.aa.oV, (0, 1), t1.aa[np.ix_(soa,sVa)], (0, 2), (1, 2)) + t3new_aaaaaa += einsum(x320, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 + t3new_abaaba += einsum(x320, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 + del x320 + x321 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x321 += einsum(f.aa.vO, (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 0), (1, 2)) + t3new_aaaaaa += einsum(x321, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -6.0 + t3new_abaaba += einsum(x321, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -2.0 + del x321 + x322 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x322 += einsum(f.aa.ov, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (2, 3, 1, 4), (3, 4, 0, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x322, (4, 5, 0, 6), (6, 1, 4, 2, 3, 5)) * -2.0 + x323 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x323 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x322, (4, 5, 1, 6), (4, 5, 6, 0, 2, 3)) + del x322 + t3new_aaaaaa += einsum(x323, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x323, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x323 + x324 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x324 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x56, (0, 4, 5, 6), (1, 3, 4, 5, 2, 6)) + del x56 + t3new_aaaaaa += einsum(x324, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x324, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x324 + x325 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x325 += einsum(f.aa.ov, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sva)], (2, 3, 4, 1), (3, 0, 2, 4)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x325, (4, 0, 5, 6), (5, 1, 4, 6, 3, 2)) * 2.0 + x326 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x326 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x325, (4, 1, 5, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x325 + t3new_aaaaaa += einsum(x326, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x326, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x326, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x326, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x326 + x327 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x327 += einsum(f.aa.ov, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sVa)], (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x327, (4, 0, 5, 6), (6, 5, 1, 2, 3, 4)) * 4.0 + del x327 + x328 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x328 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oooO, (2, 0, 3, 4), (4, 3, 2, 1)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x328, (4, 0, 5, 6), (5, 1, 4, 6, 3, 2)) + x329 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x329 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x328, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) * -1.0 + del x328 + t3new_aaaaaa += einsum(x329, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x329, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x329, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x329, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x329 + x330 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x330 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oooO, (2, 3, 0, 4), (4, 2, 3, 1)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x330, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 + x331 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x331 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x330, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 + del x330 + t3new_aaaaaa += einsum(x331, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x331, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x331, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x331, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x331 + x332 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x332 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvO, (2, 1, 3, 4), (4, 0, 2, 3)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x332, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) + x333 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x333 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x332, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 + del x332 + t3new_aaaaaa += einsum(x333, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x333, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x333, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x333, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x333 + x334 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x334 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x90, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x90 + t3new_aaaaaa += einsum(x334, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x334, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x334 + x335 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x335 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvO, (4, 2, 5, 6), (6, 3, 0, 1, 4, 5)) * -1.0 + x336 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x336 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x335, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x335 + t3new_aaaaaa += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x336 + x337 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x337 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 3, 5, 6), (5, 6, 0, 1, 4, 2)) + x338 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x338 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x337, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x337 + t3new_aaaaaa += einsum(x338, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x338, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x338 + x339 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x339 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oOvV, (2, 3, 1, 4), (3, 4, 0, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x339, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) + x340 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x340 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x339, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x339 + t3new_aaaaaa += einsum(x340, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x340, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x340 + x341 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x341 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oOvv, (2, 3, 4, 1), (3, 0, 2, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x341, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 + x342 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x342 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x341, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 + del x341 + t3new_aaaaaa += einsum(x342, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x342, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x342, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x342, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x342 + x343 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x343 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.oOvV, (4, 5, 3, 6), (5, 6, 0, 1, 4, 2)) + x344 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x344 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x343, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x343 + t3new_aaaaaa += einsum(x344, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x344, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x344 + x345 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x345 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oOvv, (4, 5, 6, 2), (5, 3, 0, 1, 4, 6)) * -1.0 + x346 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x346 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x345, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x345 + t3new_aaaaaa += einsum(x346, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x346, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x346 + x347 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x347 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oovV, (2, 3, 1, 4), (4, 0, 2, 3)) + x348 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x348 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x347, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x347 + t3new_aaaaaa += einsum(x348, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x348, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x348 + x349 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x349 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x58, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x58 + t3new_aaaaaa += einsum(x349, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x349, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x349, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x349, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x349 + x350 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x350 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oooo, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) + x351 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x351 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x350, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) + del x350 + t3new_aaaaaa += einsum(x351, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x351, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x351, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x351, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x351 + x352 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x352 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.oovV, (4, 5, 3, 6), (1, 6, 0, 4, 5, 2)) * -1.0 + x353 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x353 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x352, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x352 + t3new_aaaaaa += einsum(x353, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x353, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x353, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x353, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x353 + x354 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x354 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oovv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + x355 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x355 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x354, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x354 + t3new_aaaaaa += einsum(x355, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x355, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x355, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x355, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x355 + x356 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x356 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovoV, (2, 1, 3, 4), (4, 0, 3, 2)) + x357 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x357 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x356, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x356 + t3new_aaaaaa += einsum(x357, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x357, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x357 + x358 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x358 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x35, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + t3new_aaaaaa += einsum(x358, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x358, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x358, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x358, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + del x358 + x359 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x359 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovoV, (4, 3, 5, 6), (1, 6, 0, 5, 4, 2)) * -1.0 + x360 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x360 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x359, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x359 + t3new_aaaaaa += einsum(x360, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x360, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x360, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x360, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x360 + x361 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x361 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 6, 2), (1, 3, 0, 4, 6, 5)) + x362 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x362 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x361, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + t3new_aaaaaa += einsum(x362, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x362, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x362, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x362, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x362 + x363 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x363 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oooO, (2, 0, 3, 4), (4, 1, 3, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x363, (4, 5, 0, 6), (6, 1, 4, 2, 3, 5)) * -1.0 + x364 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x364 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x363, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) + del x363 + t3new_aaaaaa += einsum(x364, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x364, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x364 + x365 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x365 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oooO, (2, 3, 0, 4), (4, 1, 2, 3)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x365, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) + x366 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x366 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x365, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x365 + t3new_aaaaaa += einsum(x366, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x366, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x366 + x367 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x367 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovvO, (0, 2, 3, 4), (4, 1, 3, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x367, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) + x368 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x368 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x367, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x367 + t3new_aaaaaa += einsum(x368, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x368, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x368 + x369 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x369 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oOvv, (0, 2, 3, 4), (2, 1, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x369, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -1.0 + x370 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x370 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x369, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x369 + t3new_aaaaaa += einsum(x370, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x370, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x370 + x371 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x371 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oooo, (2, 3, 4, 0), (1, 2, 3, 4)) + x372 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x372 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x371, (4, 5, 0, 6), (1, 4, 6, 5, 2, 3)) * -1.0 + del x371 + t3new_aaaaaa += einsum(x372, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x372, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x372 + x373 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x373 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oovv, (2, 0, 3, 4), (1, 2, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x373, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) + x374 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x374 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x373, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x373 + t3new_aaaaaa += einsum(x374, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x374, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x374, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x374, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x374 + x375 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x375 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovov, (2, 3, 0, 4), (1, 2, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x375, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -1.0 + x376 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x376 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x375, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + t3new_aaaaaa += einsum(x376, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x376, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x376, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x376, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + del x376 + x377 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x377 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.vvvV, (2, 1, 3, 4), (4, 0, 3, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x377, (4, 5, 2, 6), (5, 1, 0, 6, 3, 4)) + x378 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x378 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x377, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 + del x377 + t3new_aaaaaa += einsum(x378, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x378, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x378, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x378, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + del x378 + x379 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x379 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.vvvV, (2, 3, 1, 4), (4, 0, 2, 3)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x379, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -1.0 + x380 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x380 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x379, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) * -1.0 + del x379 + t3new_aaaaaa += einsum(x380, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x380, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x380, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x380, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + del x380 + x381 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x381 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.vvvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + x382 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x382 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x381, (2, 3, 4, 1, 5, 6), (2, 3, 0, 4, 5, 6)) + del x381 + t3new_aaaaaa += einsum(x382, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x382, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x382, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x382, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x382 + x383 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x383 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.oovV, (2, 3, 1, 4), (0, 4, 2, 3)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x383, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 + x384 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x384 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x383, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x383 + t3new_aaaaaa += einsum(x384, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x384, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x384 + x385 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x385 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x385, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) + x386 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x386 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x385, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x385 + t3new_aaaaaa += einsum(x386, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x386, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x386, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x386, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x386 + x387 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x387 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovoV, (2, 1, 3, 4), (0, 4, 3, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x387, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) + x388 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x388 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x387, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x387 + t3new_aaaaaa += einsum(x388, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x388, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x388 + x389 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x389 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x389, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 + x390 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x390 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x389, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + t3new_aaaaaa += einsum(x390, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x390, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x390, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x390, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + del x390 + x391 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x391 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vvvV, (2, 1, 3, 4), (0, 4, 3, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x391, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) * -1.0 + x392 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x392 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x391, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) + del x391 + t3new_aaaaaa += einsum(x392, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x392, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x392 + x393 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x393 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vvvV, (2, 3, 1, 4), (0, 4, 2, 3)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x393, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) + x394 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x394 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x393, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x393 + t3new_aaaaaa += einsum(x394, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x394, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + del x394 + x395 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x395 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) + x396 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x396 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x395, (4, 5, 2, 6), (4, 3, 0, 1, 6, 5)) * -1.0 + del x395 + t3new_aaaaaa += einsum(x396, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x396, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x396 + x397 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x397 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) + x398 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x398 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x397, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x397 + t3new_aaaaaa += einsum(x398, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x398, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x398, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x398, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x398 + x399 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x399 += einsum(v.aabb.oOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 1, 7, 4, 0, 6)) + x400 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x400 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x399, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x399 + t3new_aaaaaa += einsum(x400, (0, 1, 2, 3, 4, 5), (3, 0, 1, 4, 5, 2)) * -2.0 + t3new_aaaaaa += einsum(x400, (0, 1, 2, 3, 4, 5), (3, 0, 1, 5, 4, 2)) * 2.0 + del x400 + x401 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x401 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ooov, (2, 0, 3, 4), (1, 2, 3, 4)) + x402 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x402 += einsum(x401, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 4, 1, 6)) + t3new_aaaaaa += einsum(x402, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -2.0 + t3new_aaaaaa += einsum(x402, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 2.0 + del x402 + x403 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x403 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oOov, (0, 2, 3, 4), (2, 1, 3, 4)) + t3new_aaaaaa += einsum(x403, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 + x404 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x404 += einsum(x67, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) + del x67 + t3new_aaaaaa += einsum(x404, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x404, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x404, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x404, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + del x404 + x405 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x405 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vVov, (1, 2, 3, 4), (2, 0, 3, 4)) + x406 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x406 += einsum(x405, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) + t3new_aaaaaa += einsum(x406, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 1, 2)) * 2.0 + t3new_aaaaaa += einsum(x406, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 1, 2)) * -2.0 + del x406 + x407 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x407 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vvov, (2, 1, 3, 4), (0, 3, 2, 4)) + x408 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x408 += einsum(x407, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 6, 2)) + t3new_aaaaaa += einsum(x408, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 + t3new_aaaaaa += einsum(x408, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 + del x408 + x409 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x409 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vVov, (1, 2, 3, 4), (0, 2, 3, 4)) + t3new_aaaaaa += einsum(x409, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 + x410 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x410 += einsum(x69, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (3, 2, 4, 5, 6, 7), (4, 7, 0, 1, 5, 6)) * -1.0 + t3new_aaaaaa += einsum(x410, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x410, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x410 + x411 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x411 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) + x412 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x412 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x411, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x411 + t3new_aaaaaa += einsum(x412, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x412, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_aaaaaa += einsum(x412, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x412, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x412 + x413 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x413 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) + x414 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x414 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x413, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x413 + t3new_aaaaaa += einsum(x414, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 + t3new_aaaaaa += einsum(x414, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x414, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x414, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x414 + x415 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x415 += einsum(x27, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) + del x27 + t3new_aaaaaa += einsum(x415, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x415, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x415 + x416 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x416 += einsum(x28, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) + del x28 + t3new_aaaaaa += einsum(x416, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x416, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x416 + x417 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=types[float]) + x417 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovOO, (2, 1, 3, 4), (3, 4, 0, 2)) + t3new_abaaba += einsum(x417, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 + x418 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x418 += einsum(x417, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + del x417 + t3new_aaaaaa += einsum(x418, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x418, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x418 + x419 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x419 += einsum(x77, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) + del x77 + t3new_aaaaaa += einsum(x419, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x419, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_aaaaaa += einsum(x419, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x419, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 + del x419 + x420 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x420 += einsum(x45, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 2, 7), (5, 7, 0, 4, 6, 3)) + del x45 + t3new_aaaaaa += einsum(x420, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x420, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x420, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x420, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 + del x420 + x421 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x421 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovVV, (2, 1, 3, 4), (3, 4, 0, 2)) + t3new_abaaba += einsum(x421, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 + x422 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x422 += einsum(x421, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + del x421 + t3new_aaaaaa += einsum(x422, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x422, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x422 + x423 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x423 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oVvV, (2, 3, 1, 4), (3, 4, 0, 2)) + t3new_abaaba += einsum(x423, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 0), (2, 4, 5, 6, 7, 1)) * 2.0 + x424 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x424 += einsum(x423, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 0), (5, 1, 2, 4, 6, 7)) + del x423 + t3new_aaaaaa += einsum(x424, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x424, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x424 + x425 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x425 += einsum(v.aaaa.ovOO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 0, 6)) + x426 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x426 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x425, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x425 + t3new_aaaaaa += einsum(x426, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x426, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x426 + x427 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x427 += einsum(v.aaaa.oOvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 0, 6)) + x428 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x428 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x427, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x427 + t3new_aaaaaa += einsum(x428, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_aaaaaa += einsum(x428, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x428 + x429 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x429 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovOO, (0, 1, 2, 3), (2, 3)) + t3new_aaaaaa += einsum(x429, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_abaaba += einsum(x429, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + del x429 + x430 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x430 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oOvO, (0, 2, 1, 3), (2, 3)) + t3new_aaaaaa += einsum(x430, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 + t3new_abaaba += einsum(x430, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 + del x430 + x431 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x431 += einsum(v.aaaa.ovvv, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) + x432 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x432 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x431, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x431 + t3new_aaaaaa += einsum(x432, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x432, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x432 + x433 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x433 += einsum(v.aaaa.ovVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 0, 7)) + x434 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x434 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x433, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x433 + t3new_aaaaaa += einsum(x434, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_aaaaaa += einsum(x434, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x434 + x435 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x435 += einsum(x30, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) + del x30 + t3new_aaaaaa += einsum(x435, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x435, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + del x435 + x436 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x436 += einsum(x29, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 0, 6), (4, 6, 2, 3, 5, 1)) + del x29 + t3new_aaaaaa += einsum(x436, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x436, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + del x436 + x437 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x437 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovVV, (0, 1, 2, 3), (2, 3)) + t3new_aaaaaa += einsum(x437, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + t3new_abaaba += einsum(x437, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + del x437 + x438 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x438 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oVvV, (0, 2, 1, 3), (2, 3)) + t3new_aaaaaa += einsum(x438, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 + t3new_abaaba += einsum(x438, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 + del x438 + x439 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x439 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oooV, (2, 0, 3, 4), (1, 4, 3, 2)) + t3new_abaaba += einsum(x439, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 6, 7, 1), (3, 4, 5, 6, 7, 0)) * -2.0 + x440 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x440 += einsum(x439, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 7, 1), (5, 0, 4, 3, 6, 7)) + del x439 + t3new_aaaaaa += einsum(x440, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x440, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x440 + x441 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x441 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oooV, (2, 3, 0, 4), (1, 4, 2, 3)) + t3new_abaaba += einsum(x441, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 + x442 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x442 += einsum(x441, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 4, 2, 6, 7)) + del x441 + t3new_aaaaaa += einsum(x442, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x442, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x442 + x443 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x443 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oVOO, (0, 2, 3, 4), (3, 4, 1, 2)) + t3new_aaaaaa += einsum(x443, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 + t3new_abaaba += einsum(x443, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 + del x443 + x444 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x444 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oOOV, (0, 2, 3, 4), (3, 2, 1, 4)) + t3new_aaaaaa += einsum(x444, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -6.0 + t3new_abaaba += einsum(x444, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -2.0 + del x444 + x445 = np.zeros((navir[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x445 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovvV, (0, 2, 3, 4), (1, 4, 3, 2)) + t3new_abaaba += einsum(x445, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 + x446 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x446 += einsum(x445, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 7, 2)) + del x445 + t3new_aaaaaa += einsum(x446, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x446, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + del x446 + x447 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=types[float]) + x447 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.oovO, (2, 3, 1, 4), (0, 4, 2, 3)) + t3new_abaaba += einsum(x447, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 + x448 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x448 += einsum(x447, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 1, 5, 6, 7), (0, 7, 4, 2, 5, 6)) + del x447 + t3new_aaaaaa += einsum(x448, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x448, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x448 + x449 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=types[float]) + x449 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vvvO, (2, 3, 1, 4), (0, 4, 2, 3)) + t3new_abaaba += einsum(x449, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -2.0 + x450 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x450 += einsum(x449, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 6, 2)) + del x449 + t3new_aaaaaa += einsum(x450, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x450, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + del x450 + x451 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=types[float]) + x451 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vvvO, (2, 1, 3, 4), (0, 4, 3, 2)) + t3new_abaaba += einsum(x451, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 2, 6, 7), (4, 5, 0, 3, 6, 7)) * 2.0 + x452 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x452 += einsum(x451, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 2, 7), (0, 7, 4, 5, 6, 3)) + del x451 + t3new_aaaaaa += einsum(x452, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x452, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + del x452 + x453 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x453 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vOVV, (1, 2, 3, 4), (0, 2, 3, 4)) + t3new_aaaaaa += einsum(x453, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 + t3new_abaaba += einsum(x453, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 + del x453 + x454 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x454 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vVOV, (1, 2, 3, 4), (0, 3, 4, 2)) + t3new_aaaaaa += einsum(x454, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 6.0 + t3new_abaaba += einsum(x454, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 2.0 + del x454 + x455 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x455 += einsum(x31, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) + del x31 + t3new_aaaaaa += einsum(x455, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x455, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x455 + x456 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x456 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OOov, (2, 3, 0, 1), (2, 3)) + t3new_aaaaaa += einsum(x456, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_abaaba += einsum(x456, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + del x456 + x457 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x457 += einsum(x32, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) + del x32 + t3new_aaaaaa += einsum(x457, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x457, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + del x457 + x458 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x458 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.VVov, (2, 3, 0, 1), (2, 3)) + t3new_aaaaaa += einsum(x458, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + t3new_abaaba += einsum(x458, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + del x458 + x459 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x459 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oOov, (4, 5, 1, 3), (5, 0, 4, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x459, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 + x460 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x460 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x459, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x459 + t3new_aaaaaa += einsum(x460, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x460, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x460, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x460, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + del x460 + x461 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x461 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x65, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x65 + t3new_aaaaaa += einsum(x461, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x461, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x461, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x461, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + del x461 + x462 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x462 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 5, 6), (1, 3, 0, 5, 4, 6)) + t3new_abaaba += einsum(x462, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_abaaba += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x462, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 4.0 + x463 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x463 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x462, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 2, 7)) + t3new_aaaaaa += einsum(x463, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x463, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x463, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x463, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x463 + x464 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x464 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (4, 5, 1, 3), (5, 0, 2, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x464, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) + x465 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x465 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x464, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x464 + t3new_aaaaaa += einsum(x465, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x465, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x465, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x465, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x465 + x466 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x466 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oOov, (4, 5, 1, 3), (5, 2, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x466, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) + x467 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x467 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x466, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x466 + t3new_aaaaaa += einsum(x467, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x467, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x467 + x468 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x468 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 3), (2, 0, 4, 5)) + x469 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x469 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x468, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x468 + t3new_aaaaaa += einsum(x469, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x469, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x469 + x470 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x470 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 1, 3), (2, 0, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x470, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -1.0 + x471 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x471 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x470, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x470 + t3new_aaaaaa += einsum(x471, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x471, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x471, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x471, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + del x471 + x472 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x472 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x472, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) + x473 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x473 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x472, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 + del x472 + t3new_aaaaaa += einsum(x473, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x473, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x473, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x473, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x473 + x474 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x474 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 1, 3), (0, 2, 4, 5)) + x475 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x475 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x474, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 + del x474 + t3new_aaaaaa += einsum(x475, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x475, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x475 + x476 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x476 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (4, 5, 1, 3), (0, 5, 2, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x476, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -1.0 + x477 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x477 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x476, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x476 + t3new_aaaaaa += einsum(x477, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x477, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x477 + x478 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x478 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 3), (0, 2, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x478, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 + x479 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x479 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x478, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x478 + t3new_aaaaaa += einsum(x479, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x479, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x479 + x480 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x480 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 1, 3), (0, 2, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x480, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) + x481 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x481 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x480, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x480 + t3new_aaaaaa += einsum(x481, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x481, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + del x481 + x482 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x482 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovoO, (1, 3, 4, 5), (5, 0, 4, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x482, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 + x483 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x483 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x482, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x482 + t3new_aaaaaa += einsum(x483, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x483, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x483, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x483, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x483 + x484 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x484 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (4, 2, 1, 5), (5, 3, 0, 4)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x484, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 + x485 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x485 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x484, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x484 + t3new_aaaaaa += einsum(x485, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x485, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x485 + x486 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x486 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovoO, (4, 3, 1, 5), (5, 0, 4, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x486, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 + x487 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x487 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x486, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x486 + t3new_aaaaaa += einsum(x487, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x487, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x487, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x487, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x487 + x488 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x488 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (1, 2, 4, 5), (5, 3, 0, 4)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x488, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * 2.0 + x489 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x489 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x488, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x488 + t3new_aaaaaa += einsum(x489, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x489, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x489 + x490 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x490 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (0, 4, 1, 5), (5, 3, 2, 4)) + x491 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x491 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x490, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + t3new_aaaaaa += einsum(x491, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x491, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x491, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x491, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x491 + x492 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x492 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovoO, (1, 4, 0, 5), (5, 2, 3, 4)) + x493 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x493 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x492, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 + del x492 + t3new_aaaaaa += einsum(x493, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x493, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x493 + x494 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x494 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x73, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x73 + t3new_aaaaaa += einsum(x494, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x494, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x494, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x494, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + del x494 + x495 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x495 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 2), (1, 3, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x495, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 + x496 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x496 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x495, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x495 + t3new_aaaaaa += einsum(x496, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x496, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + del x496 + x497 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x497 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x71, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x71 + t3new_aaaaaa += einsum(x497, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x497, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x497, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x497, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + del x497 + x498 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x498 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 2), (1, 3, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x498, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * 2.0 + x499 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x499 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x498, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x498 + t3new_aaaaaa += einsum(x499, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x499, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + del x499 + x500 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x500 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + x501 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x501 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x500, (4, 5, 6, 0, 7, 1), (4, 5, 6, 7, 2, 3)) + t3new_aaaaaa += einsum(x501, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x501, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x501, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x501, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x501 + x502 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x502 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x502, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 + x503 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x503 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x502, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 + del x502 + t3new_aaaaaa += einsum(x503, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x503, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x503, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x503, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + del x503 + x504 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x504 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 1, 5, 2), (3, 0, 4, 5)) * -1.0 + x505 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x505 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x504, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x504 + t3new_aaaaaa += einsum(x505, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x505, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + del x505 + x506 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x506 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x506, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 + x507 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x507 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x506, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 + del x506 + t3new_aaaaaa += einsum(x507, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x507, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x507, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x507, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + del x507 + x508 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x508 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 1, 2), (3, 0, 4, 5)) * -1.0 + x509 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x509 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x508, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x508 + t3new_aaaaaa += einsum(x509, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x509, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + del x509 + x510 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x510 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 1, 0, 5), (3, 4, 2, 5)) + x511 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x511 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x510, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + t3new_aaaaaa += einsum(x511, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x511, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x511, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x511, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x511, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x511, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x511, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x511, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + del x511 + x512 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x512 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (1, 3, 4, 5), (5, 0, 2, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x512, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * 2.0 + x513 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x513 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x512, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x512 + t3new_aaaaaa += einsum(x513, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x513, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x513, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x513, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x513 + x514 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x514 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (4, 2, 3, 5), (1, 5, 0, 4)) + x515 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x515 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x514, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + t3new_aaaaaa += einsum(x515, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x515, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x515, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x515, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x515 + x516 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x516 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (1, 4, 3, 5), (5, 0, 2, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x516, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -2.0 + x517 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x517 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x516, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x516 + t3new_aaaaaa += einsum(x517, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x517, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x517, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x517, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x517 + x518 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x518 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x518, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 2.0 + x519 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x519 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x518, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x518 + t3new_aaaaaa += einsum(x519, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x519, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x519 + x520 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x520 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (4, 2, 3, 5), (5, 0, 1, 4)) * -1.0 + x521 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x521 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x520, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x520 + t3new_aaaaaa += einsum(x521, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x521, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x521 + x522 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x522 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (0, 3, 4, 5), (1, 5, 2, 4)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x522, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -2.0 + x523 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x523 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x522, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x522 + t3new_aaaaaa += einsum(x523, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x523, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x523 + x524 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x524 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x301, (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) + t3new_aaaaaa += einsum(x524, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x524, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x524, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x524, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x524 + x525 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x525 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x525, (4, 5, 6, 0, 7, 2), (6, 1, 4, 7, 3, 5)) * -2.0 + x526 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x526 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x525, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 2, 7)) + t3new_aaaaaa += einsum(x526, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x526, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x526, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x526, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x526 + x527 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x527 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x527, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) * -2.0 + x528 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x528 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x527, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) + del x527 + t3new_aaaaaa += einsum(x528, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x528, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x528 + x529 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x529 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x80, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x80 + t3new_aaaaaa += einsum(x529, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x529, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x529, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x529, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x529 + x530 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x530 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x530, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 2.0 + x531 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x531 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x530, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x530 + t3new_aaaaaa += einsum(x531, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x531, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x531 + x532 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x532 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 3, 5, 2), (1, 0, 4, 5)) + x533 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x533 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x532, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 + t3new_aaaaaa += einsum(x533, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x533, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x533, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x533, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x533, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x533, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x533, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x533, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x533 + x534 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x534 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (1, 2, 4, 5), (3, 0, 4, 5)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x534, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -2.0 + x535 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x535 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x534, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x534 + t3new_aaaaaa += einsum(x535, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x535, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x535, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x535, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x535 + x536 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x536 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (1, 4, 5, 2), (3, 0, 4, 5)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x536, (4, 5, 2, 6), (5, 1, 0, 6, 3, 4)) * 2.0 + x537 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x537 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x536, (4, 5, 3, 6), (1, 4, 0, 5, 2, 6)) * -1.0 + del x536 + t3new_aaaaaa += einsum(x537, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x537, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x537, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x537, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x537 + x538 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x538 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) * -1.0 + x539 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x539 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x538, (4, 5, 2, 6), (4, 3, 0, 1, 5, 6)) * -1.0 + del x538 + t3new_aaaaaa += einsum(x539, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x539, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x539 + x540 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x540 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 3, 4, 5), (1, 2, 4, 5)) * -1.0 + x541 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x541 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x540, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 + del x540 + t3new_aaaaaa += einsum(x541, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x541, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x541 + x542 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x542 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) + t3new_abaaba += einsum(x542, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_abaaba += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x542, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 4.0 + x543 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x543 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x542, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) + del x542 + t3new_aaaaaa += einsum(x543, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x543, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x543, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x543, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x543 + x544 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x544 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) + t3new_abaaba += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x544, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -4.0 + x545 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x545 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x544, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) + del x544 + t3new_aaaaaa += einsum(x545, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x545, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x545, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x545, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x545 + x546 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x546 += einsum(x34, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + del x34 + t3new_aaaaaa += einsum(x546, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x546, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x546 + x547 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x547 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 6, 3)) + t3new_abaaba += einsum(x547, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_abaaba += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x547, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 12.0 + x548 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x548 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x547, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) + del x547 + t3new_aaaaaa += einsum(x548, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_aaaaaa += einsum(x548, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x548, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x548, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x548 + x549 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x549 += einsum(x105, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + del x105 + t3new_aaaaaa += einsum(x549, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_aaaaaa += einsum(x549, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x549 + x550 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x550 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (2, 0, 4, 5)) + x551 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x551 += einsum(x550, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) + t3new_aaaaaa += einsum(x551, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 2.0 + t3new_aaaaaa += einsum(x551, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -2.0 + del x551 + x552 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x552 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (2, 0, 4, 5)) + x553 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x553 += einsum(x552, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) + t3new_aaaaaa += einsum(x553, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * -2.0 + t3new_aaaaaa += einsum(x553, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * 2.0 + del x553 + x554 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x554 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oVov, (4, 5, 1, 3), (2, 5, 0, 4)) + t3new_abaaba += einsum(x554, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 + x555 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x555 += einsum(x554, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + del x554 + t3new_aaaaaa += einsum(x555, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x555, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x555 + x556 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x556 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oVov, (0, 4, 1, 3), (2, 4)) + t3new_aaaaaa += einsum(x556, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + t3new_abaaba += einsum(x556, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + del x556 + x557 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x557 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) + x558 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x558 += einsum(x557, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) + t3new_aaaaaa += einsum(x558, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 2.0 + t3new_aaaaaa += einsum(x558, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -2.0 + del x558 + x559 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x559 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) + x560 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x560 += einsum(x559, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) + t3new_aaaaaa += einsum(x560, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 + t3new_aaaaaa += einsum(x560, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 + del x560 + x561 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x561 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vOov, (2, 4, 1, 3), (0, 4)) + t3new_aaaaaa += einsum(x561, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_abaaba += einsum(x561, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + del x561 + x562 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=types[float]) + x562 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vOov, (4, 5, 1, 3), (0, 5, 2, 4)) + t3new_abaaba += einsum(x562, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 2.0 + x563 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x563 += einsum(x562, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + del x562 + t3new_aaaaaa += einsum(x563, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x563, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x563 + x564 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x564 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (0, 2, 4, 5)) + t3new_aaaaaa += einsum(x564, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 + x565 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x565 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (0, 2, 4, 5)) + t3new_aaaaaa += einsum(x565, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 + x566 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x566 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 1, 3), (0, 4, 2, 5)) + t3new_aaaaaa += einsum(x566, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 + t3new_abaaba += einsum(x566, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 + del x566 + x567 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x567 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 2, 4, 5, 3, 6), (4, 6, 5, 1)) + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x567, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * 4.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x567, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -2.0 + x568 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x568 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x567, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x567 + t3new_aaaaaa += einsum(x568, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x568, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x568 + x569 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x569 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 1, 3, 6), (5, 6, 4, 0)) + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x569, (4, 5, 6, 0), (6, 4, 1, 2, 3, 5)) * 4.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x569, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 + x570 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x570 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x569, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x569 + t3new_aaaaaa += einsum(x570, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x570, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + del x570 + x571 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x571 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x306, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) + del x306 + t3new_aaaaaa += einsum(x571, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x571, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x571, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x571, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + del x571 + x572 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x572 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x88, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + t3new_aaaaaa += einsum(x572, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x572, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x572, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x572, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + del x572 + x573 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x573 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovov, (1, 2, 4, 5), (3, 0, 4, 5)) * -1.0 + x574 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x574 += einsum(x573, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) + t3new_aaaaaa += einsum(x574, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 4.0 + t3new_aaaaaa += einsum(x574, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -4.0 + del x574 + x575 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x575 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 1, 5, 3, 6), (6, 4, 5, 0)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x575, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -2.0 + x576 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x576 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x575, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x575 + t3new_aaaaaa += einsum(x576, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x576, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x576, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x576, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + del x576 + x577 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x577 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovov, (0, 3, 4, 5), (1, 4, 2, 5)) * -1.0 + x578 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x578 += einsum(x577, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) + t3new_aaaaaa += einsum(x578, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 4.0 + t3new_aaaaaa += einsum(x578, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -4.0 + del x578 + x579 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x579 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.vOov, (2, 4, 5, 6), (1, 4, 3, 0, 5, 6)) + x580 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x580 += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x579, (6, 2, 7, 8, 1, 4), (6, 7, 5, 8, 0, 3)) + del x579 + t3new_aaaaaa += einsum(x580, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 4.0 + t3new_aaaaaa += einsum(x580, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -4.0 + del x580 + x581 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x581 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x88, (4, 5, 0, 6), (1, 4, 3, 5, 2, 6)) + del x88 + t3new_aaaaaa += einsum(x581, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 4.0 + t3new_aaaaaa += einsum(x581, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -4.0 + del x581 + x582 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x582 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 5), (1, 3, 4, 5)) + t3new_aaaaaa += einsum(x582, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 4.0 + x583 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x583 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (0, 2, 4, 5, 1, 6), (4, 6, 5, 3)) * -1.0 + x584 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x584 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x583, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + t3new_aaaaaa += einsum(x584, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x584, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x584, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x584, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x584 + x585 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x585 += einsum(x113, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 + t3new_aaaaaa += einsum(x585, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 + t3new_aaaaaa += einsum(x585, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 + del x585 + x586 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x586 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 3, 1, 6), (5, 6, 4, 0)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x586, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -6.0 + x587 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x587 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x586, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x586 + t3new_aaaaaa += einsum(x587, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 + t3new_aaaaaa += einsum(x587, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 + del x587 + x588 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x588 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x312, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) + del x312 + t3new_aaaaaa += einsum(x588, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 + t3new_aaaaaa += einsum(x588, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 + t3new_aaaaaa += einsum(x588, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -12.0 + t3new_aaaaaa += einsum(x588, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 12.0 + del x588 + x589 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x589 += einsum(x37, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 + t3new_aaaaaa += einsum(x589, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x589, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x589, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x589, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x589 + x590 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x590 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x590, (4, 5, 6, 0, 7, 2), (6, 1, 4, 7, 3, 5)) * -6.0 + x591 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x591 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x590, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) + del x590 + t3new_aaaaaa += einsum(x591, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 + t3new_aaaaaa += einsum(x591, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 + t3new_aaaaaa += einsum(x591, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 12.0 + t3new_aaaaaa += einsum(x591, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 + del x591 + x592 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x592 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) * -1.0 + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x592, (4, 5, 6, 7, 0, 1), (7, 6, 4, 2, 3, 5)) * -6.0 + x593 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x593 += einsum(x111, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 + t3new_aaaaaa += einsum(x593, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x593, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x593, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x593, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x593 + x594 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x594 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (0, 2, 4, 5, 6, 3), (4, 5, 6, 1)) * -1.0 + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x594, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * 6.0 + del x594 + x595 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x595 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (0, 2, 4, 5, 6, 3), (4, 5, 6, 1)) * -1.0 + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x595, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * 6.0 + del x595 + x596 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x596 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 1, 3), (5, 4, 0, 6)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x596, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 6.0 + x597 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x597 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x596, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x596 + t3new_aaaaaa += einsum(x597, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 + t3new_aaaaaa += einsum(x597, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 + t3new_aaaaaa += einsum(x597, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 12.0 + t3new_aaaaaa += einsum(x597, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 + del x597 + x598 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x598 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (1, 2, 4, 5), (3, 5, 0, 4)) * -1.0 + t3new_abaaba += einsum(x598, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 4.0 + x599 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x599 += einsum(x598, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + del x598 + t3new_aaaaaa += einsum(x599, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 + t3new_aaaaaa += einsum(x599, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 + del x599 + x600 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x600 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (4, 2, 1, 5), (3, 5, 0, 4)) * -1.0 + t3new_abaaba += einsum(x600, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -4.0 + x601 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x601 += einsum(x600, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + del x600 + t3new_aaaaaa += einsum(x601, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 + t3new_aaaaaa += einsum(x601, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 12.0 + del x601 + x602 = np.zeros((navir[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x602 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (1, 4, 0, 5), (3, 5, 2, 4)) * -1.0 + t3new_abaaba += einsum(x602, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 + x603 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x603 += einsum(x602, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + del x602 + t3new_aaaaaa += einsum(x603, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x603, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x603 + x604 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x604 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (0, 2, 1, 4), (3, 4)) + t3new_aaaaaa += einsum(x604, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + t3new_abaaba += einsum(x604, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + del x604 + x605 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x605 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (0, 2, 1, 4), (3, 4)) + t3new_aaaaaa += einsum(x605, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + t3new_abaaba += einsum(x605, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + del x605 + x606 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x606 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 3, 5, 2, 6), (6, 4, 5, 1)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x606, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * 3.0 + x607 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x607 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x606, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x606 + t3new_aaaaaa += einsum(x607, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x607, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x607, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 + t3new_aaaaaa += einsum(x607, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x607 + x608 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=types[float]) + x608 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (4, 2, 3, 5), (1, 5, 0, 4)) + x609 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x609 += einsum(x608, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + t3new_aaaaaa += einsum(x609, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 + t3new_aaaaaa += einsum(x609, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 + t3new_aaaaaa += einsum(x609, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 + t3new_aaaaaa += einsum(x609, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 + del x609 + x610 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x610 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x610, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -3.0 + x611 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x611 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x610, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x610 + t3new_aaaaaa += einsum(x611, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_aaaaaa += einsum(x611, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x611, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x611, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x611 + x612 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x612 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 3, 2, 1, 6), (6, 4, 5, 0)) + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x612, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * -12.0 + del x612 + x613 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=types[float]) + x613 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (0, 3, 4, 5), (1, 5, 2, 4)) * -1.0 + t3new_abaaba += einsum(x613, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 4.0 + x614 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x614 += einsum(x613, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + del x613 + t3new_aaaaaa += einsum(x614, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 + t3new_aaaaaa += einsum(x614, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 + del x614 + x615 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x615 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (0, 2, 3, 4), (1, 4)) + x616 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x616 += einsum(x615, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) + t3new_aaaaaa += einsum(x616, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x616, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x616 + x617 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=types[float]) + x617 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 + t3new_abaaba += einsum(x617, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -4.0 + x618 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x618 += einsum(x617, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + del x617 + t3new_aaaaaa += einsum(x618, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 + t3new_aaaaaa += einsum(x618, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 + del x618 + x619 = np.zeros((naocc[0], naocc[0], navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x619 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) + t3new_abaaba += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x619, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * -2.0 + x620 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x620 += einsum(t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (0, 1, 2, 3, 4, 5), x619, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) + del x619 + t3new_aaaaaa += einsum(x620, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x620, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x620 + x621 = np.zeros((naocc[0], naocc[0], navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x621 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (1, 6, 3, 5, 0, 4)) + t3new_abaaba += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x621, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * 2.0 + x622 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x622 += einsum(t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (0, 1, 2, 3, 4, 5), x621, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) + del x621 + t3new_aaaaaa += einsum(x622, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x622, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x622 + x623 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x623 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x94, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x94 + t3new_aaaaaa += einsum(x623, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 + t3new_aaaaaa += einsum(x623, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 + del x623 + x624 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x624 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) + t3new_aaaaaa += einsum(x624, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 12.0 + t3new_abaaba += einsum(x624, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 4.0 + del x624 + x625 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x625 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (1, 5, 3, 4)) + t3new_aaaaaa += einsum(x625, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -12.0 + t3new_abaaba += einsum(x625, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -4.0 + del x625 + x626 = np.zeros((naocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x626 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovoO, (2, 1, 3, 4), (4, 0, 3, 2)) + x627 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x627 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x626, (2, 3, 4, 0), (2, 3, 4, 1)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x627, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) + x628 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x628 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x627, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x627 + t3new_aaaaaa += einsum(x628, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x628, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x628, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x628, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x628 + x629 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x629 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x626, (2, 3, 0, 4), (2, 3, 4, 1)) + del x626 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x629, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 + x630 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x630 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x629, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x629 + t3new_aaaaaa += einsum(x630, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x630, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x630, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x630, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x630 + x631 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x631 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (4, 2, 5, 6), (6, 3, 0, 1, 5, 4)) * -1.0 + x632 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x632 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x631, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x631 + x633 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x633 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x632, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x632 + t3new_aaaaaa += einsum(x633, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x633, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x633 + x634 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x634 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x69, (4, 5, 6, 0), (1, 3, 4, 6, 5, 2)) + x635 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x635 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x634, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x634 + t3new_aaaaaa += einsum(x635, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x635, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x635, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x635, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x635 + x636 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x636 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x69, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) + del x69 + x637 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x637 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x636, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x636 + t3new_aaaaaa += einsum(x637, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x637, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x637, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x637, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x637 + x638 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x638 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x500, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x500 + x639 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x639 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x638, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x638 + t3new_aaaaaa += einsum(x639, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x639, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x639, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x639, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x639 + x640 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x640 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvV, (2, 1, 3, 4), (4, 0, 2, 3)) + x641 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x641 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x640, (2, 3, 4, 1), (2, 0, 3, 4)) + x642 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x642 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x641, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x641 + t3new_aaaaaa += einsum(x642, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x642, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x642 + x643 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x643 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x117, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x117 + t3new_aaaaaa += einsum(x643, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x643, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x643, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x643, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x643 + x644 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x644 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x640, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 + x645 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x645 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x644, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x644 + t3new_aaaaaa += einsum(x645, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x645, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x645, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x645, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x645 + x646 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x646 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvV, (2, 3, 1, 4), (4, 0, 2, 3)) + x647 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x647 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x646, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 + x648 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x648 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x647, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x647 + t3new_aaaaaa += einsum(x648, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x648, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x648, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x648, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x648 + x649 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x649 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x301, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) + del x301 + x650 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x650 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x649, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x649 + t3new_aaaaaa += einsum(x650, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x650, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x650, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x650, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x650 + x651 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x651 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x525, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) + del x525 + x652 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x652 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x651, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x651 + t3new_aaaaaa += einsum(x652, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x652, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x652, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x652, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x652 + x653 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x653 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovoO, (0, 2, 3, 4), (4, 1, 3, 2)) + x654 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x654 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x653, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x654, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 + x655 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x655 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x654, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x654 + t3new_aaaaaa += einsum(x655, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x655, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x655 + x656 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x656 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovoO, (2, 3, 0, 4), (4, 1, 2, 3)) + x657 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x657 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x656, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x657, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) + x658 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x658 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x657, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x657 + t3new_aaaaaa += einsum(x658, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x658, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x658 + x659 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x659 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x656, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + x660 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x660 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x659, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x659 + t3new_aaaaaa += einsum(x660, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x660, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x660 + x661 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x661 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x653, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + x662 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x662 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x661, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x661 + t3new_aaaaaa += einsum(x662, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x662, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x662 + x663 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x663 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ooov, (2, 0, 3, 4), (1, 2, 3, 4)) + x664 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x664 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x663, (2, 3, 4, 1), (2, 0, 3, 4)) + x665 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x665 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x664, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x664 + t3new_aaaaaa += einsum(x665, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x665, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x665 + x666 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x666 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ooov, (2, 3, 0, 4), (1, 2, 3, 4)) + x667 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x667 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x666, (2, 3, 4, 1), (2, 0, 4, 3)) + x668 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x668 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x667, (4, 5, 0, 6), (1, 4, 5, 6, 2, 3)) * -1.0 + del x667 + t3new_aaaaaa += einsum(x668, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x668, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x668 + x669 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x669 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x666, (4, 5, 6, 3), (1, 4, 0, 6, 5, 2)) * -1.0 + x670 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x670 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x669, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x669 + t3new_aaaaaa += einsum(x670, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x670, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x670, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x670, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x670 + x671 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x671 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x663, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + x672 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x672 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x671, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x671 + t3new_aaaaaa += einsum(x672, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x672, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x672, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x672, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x672 + x673 = np.zeros((navir[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x673 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovvv, (0, 2, 3, 4), (1, 2, 3, 4)) + x674 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x674 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x673, (2, 1, 3, 4), (2, 0, 4, 3)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x674, (4, 5, 2, 6), (5, 1, 0, 6, 3, 4)) + x675 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x675 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x674, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 + del x674 + t3new_aaaaaa += einsum(x675, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x675, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x675, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x675, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x675 + x676 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x676 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x673, (2, 3, 4, 1), (2, 0, 3, 4)) + del x673 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x676, (4, 5, 2, 6), (5, 1, 0, 6, 3, 4)) * -1.0 + x677 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x677 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x676, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 + del x676 + t3new_aaaaaa += einsum(x677, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x677, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x677, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x677, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x677 + x678 = np.zeros((naocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x678 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) + x679 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x679 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x678, (2, 3, 0, 4), (2, 3, 4, 1)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x679, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) + x680 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x680 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x679, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 + del x679 + t3new_aaaaaa += einsum(x680, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x680, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x680, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x680, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x680 + x681 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x681 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x678, (2, 3, 4, 0), (2, 4, 3, 1)) + del x678 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x681, (4, 0, 5, 6), (5, 1, 4, 6, 3, 2)) * -1.0 + x682 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x682 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x681, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) * -1.0 + del x681 + t3new_aaaaaa += einsum(x682, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x682, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x682, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x682, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x682 + x683 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x683 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvV, (2, 3, 1, 4), (0, 4, 2, 3)) + x684 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x684 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x683, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x684, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 + x685 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x685 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x684, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x684 + t3new_aaaaaa += einsum(x685, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x685, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x685 + x686 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x686 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvV, (2, 1, 3, 4), (0, 4, 2, 3)) + x687 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x687 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x686, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x687, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) + x688 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x688 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x687, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x687 + t3new_aaaaaa += einsum(x688, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x688, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x688 + x689 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x689 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) + x690 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x690 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x689, (2, 3, 1, 4), (2, 0, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x690, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) + x691 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x691 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x690, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 + del x690 + t3new_aaaaaa += einsum(x691, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x691, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x691, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x691, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x691 + x692 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x692 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) + x693 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x693 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x692, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x693, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 + x694 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x694 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x693, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 + del x693 + t3new_aaaaaa += einsum(x694, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x694, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x694, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x694, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x694 + x695 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x695 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x686, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + x696 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x696 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x695, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x695 + t3new_aaaaaa += einsum(x696, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x696, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x696 + x697 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x697 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x683, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + x698 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x698 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x697, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x697 + t3new_aaaaaa += einsum(x698, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x698, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x698 + x699 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x699 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x692, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 + del x692 + x700 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x700 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x699, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x699 + t3new_aaaaaa += einsum(x700, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x700, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x700 + x701 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x701 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x689, (4, 5, 2, 6), (4, 3, 0, 1, 5, 6)) * -1.0 + del x689 + x702 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x702 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x701, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x701 + t3new_aaaaaa += einsum(x702, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x702, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x702 + x703 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x703 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ooov, (4, 0, 5, 3), (2, 1, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x703, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 + x704 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x704 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x703, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x703 + t3new_aaaaaa += einsum(x704, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x704, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x704 + x705 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x705 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ooov, (4, 5, 0, 3), (2, 1, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x705, (4, 5, 0, 6), (6, 1, 4, 2, 3, 5)) + x706 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x706 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x705, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) + del x705 + t3new_aaaaaa += einsum(x706, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x706, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x706 + x707 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x707 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ovvv, (0, 3, 4, 5), (2, 1, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x707, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) * -1.0 + x708 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x708 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x707, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) + del x707 + t3new_aaaaaa += einsum(x708, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x708, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x708 + x709 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x709 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ovvv, (0, 4, 5, 3), (2, 1, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x709, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) + x710 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x710 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x709, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) + del x709 + t3new_aaaaaa += einsum(x710, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x710, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x710 + x711 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x711 += einsum(x33, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) + x712 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x712 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x711, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x711 + t3new_aaaaaa += einsum(x712, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x712, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x712, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x712, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x712 + x713 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x713 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ovov, (0, 2, 3, 4), (1, 3, 2, 4)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x713, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 + x714 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x714 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x713, (2, 3, 1, 4), (2, 0, 3, 4)) + x715 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x715 += einsum(x714, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) + t3new_aaaaaa += einsum(x715, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * -2.0 + t3new_aaaaaa += einsum(x715, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * 2.0 + del x715 + x716 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x716 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.ovov, (2, 1, 3, 4), (0, 2, 3, 4)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x716, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + x717 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x717 += einsum(x716, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (0, 5, 7, 4, 1, 6)) + x718 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x718 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x717, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x717 + t3new_aaaaaa += einsum(x718, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 + t3new_aaaaaa += einsum(x718, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 + del x718 + x719 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x719 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aabb.ovov, (0, 3, 4, 5), (2, 1, 4, 5)) + t3new_aaaaaa += einsum(x719, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 + x720 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x720 += einsum(x121, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 + t3new_aaaaaa += einsum(x720, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 + t3new_aaaaaa += einsum(x720, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 + del x720 + x721 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x721 += einsum(x35, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) + x722 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x722 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x721, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x721 + t3new_aaaaaa += einsum(x722, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x722, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x722, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 + t3new_aaaaaa += einsum(x722, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x722 + x723 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x723 += einsum(x35, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) + x724 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x724 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x723, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x723 + t3new_aaaaaa += einsum(x724, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_aaaaaa += einsum(x724, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x724, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x724, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x724 + x725 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x725 += einsum(x39, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + del x39 + t3new_aaaaaa += einsum(x725, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x725, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x725 + x726 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x726 += einsum(x40, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + del x40 + t3new_aaaaaa += einsum(x726, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x726, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x726 + x727 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x727 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x592, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x592 + t3new_aaaaaa += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x727, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 6.0 + del x727 + x728 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x728 += einsum(x11, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x729 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x729 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x728, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x728 + t3new_aaaaaa += einsum(x729, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_aaaaaa += einsum(x729, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x729 + x730 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x730 += einsum(x12, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x731 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x731 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x730, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x730 + t3new_aaaaaa += einsum(x731, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x731, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x731 + x732 = np.zeros((navir[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x732 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovoV, (0, 2, 3, 4), (1, 4, 3, 2)) + x733 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x733 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x732, (2, 3, 4, 1), (2, 3, 0, 4)) + del x732 + t3new_abaaba += einsum(x733, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 + x734 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x734 += einsum(x733, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + del x733 + t3new_aaaaaa += einsum(x734, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x734, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x734 + x735 = np.zeros((navir[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x735 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) + x736 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x736 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x735, (2, 3, 4, 1), (2, 3, 0, 4)) + del x735 + t3new_abaaba += einsum(x736, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 + x737 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x737 += einsum(x736, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + del x736 + t3new_aaaaaa += einsum(x737, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_aaaaaa += einsum(x737, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x737 + x738 = np.zeros((navir[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x738 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) + x739 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x739 += einsum(x738, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + x740 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x740 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x739, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x739 + t3new_aaaaaa += einsum(x740, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x740, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x740 + x741 = np.zeros((navir[0], nocc[0]), dtype=types[float]) + x741 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovoV, (0, 1, 2, 3), (3, 2)) + x742 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x742 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x741, (2, 0), (1, 2)) + del x741 + t3new_aaaaaa += einsum(x742, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + t3new_abaaba += einsum(x742, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + del x742 + x743 = np.zeros((navir[0], nocc[0]), dtype=types[float]) + x743 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovoV, (2, 1, 0, 3), (3, 2)) + x744 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x744 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x743, (2, 0), (1, 2)) + del x743 + t3new_aaaaaa += einsum(x744, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + t3new_abaaba += einsum(x744, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + del x744 + x745 = np.zeros((naocc[0], naocc[0], nocc[0], nvir[0]), dtype=types[float]) + x745 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) + x746 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=types[float]) + x746 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x745, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(x746, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) + x747 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x747 += einsum(x746, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + del x746 + t3new_aaaaaa += einsum(x747, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 + t3new_aaaaaa += einsum(x747, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 + del x747 + x748 = np.zeros((naocc[0], naocc[0], nocc[0], nvir[0]), dtype=types[float]) + x748 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvO, (2, 1, 3, 4), (0, 4, 2, 3)) + x749 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=types[float]) + x749 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x748, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(x749, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -1.0 + x750 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x750 += einsum(x749, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + del x749 + t3new_aaaaaa += einsum(x750, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 + t3new_aaaaaa += einsum(x750, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 3.0 + del x750 + x751 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x751 += einsum(x748, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + x752 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x752 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x751, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x751 + t3new_aaaaaa += einsum(x752, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_aaaaaa += einsum(x752, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x752 + x753 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x753 += einsum(x745, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + x754 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x754 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x753, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x753 + t3new_aaaaaa += einsum(x754, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_aaaaaa += einsum(x754, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x754 + x755 = np.zeros((naocc[0], nvir[0]), dtype=types[float]) + x755 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvO, (0, 1, 2, 3), (3, 2)) + x756 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x756 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), x755, (2, 1), (0, 2)) + del x755 + t3new_aaaaaa += einsum(x756, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_abaaba += einsum(x756, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + del x756 + x757 = np.zeros((naocc[0], nvir[0]), dtype=types[float]) + x757 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvO, (0, 2, 1, 3), (3, 2)) + x758 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x758 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), x757, (2, 1), (0, 2)) + del x757 + t3new_aaaaaa += einsum(x758, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 + t3new_abaaba += einsum(x758, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 + del x758 + x759 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0]), dtype=types[float]) + x759 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovOV, (2, 1, 3, 4), (0, 3, 4, 2)) + x760 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x760 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x759, (2, 3, 4, 0), (2, 3, 1, 4)) + del x759 + t3new_aaaaaa += einsum(x760, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 + t3new_abaaba += einsum(x760, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 + del x760 + x761 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0]), dtype=types[float]) + x761 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.oVvO, (2, 3, 1, 4), (0, 4, 3, 2)) + x762 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x762 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x761, (2, 3, 4, 0), (2, 3, 1, 4)) + del x761 + t3new_aaaaaa += einsum(x762, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 + t3new_abaaba += einsum(x762, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 + del x762 + x763 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x763 += einsum(x41, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + del x41 + t3new_aaaaaa += einsum(x763, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_aaaaaa += einsum(x763, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x763 + x764 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x764 += einsum(x15, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x765 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x765 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x764, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x764 + t3new_aaaaaa += einsum(x765, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_aaaaaa += einsum(x765, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x765 + x766 = np.zeros((navir[0], nocc[0]), dtype=types[float]) + x766 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oVov, (2, 3, 0, 1), (3, 2)) + x767 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x767 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x766, (2, 0), (1, 2)) + del x766 + t3new_aaaaaa += einsum(x767, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + t3new_abaaba += einsum(x767, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + del x767 + x768 = np.zeros((naocc[0], nvir[0]), dtype=types[float]) + x768 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vOov, (2, 3, 0, 1), (3, 2)) + x769 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x769 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), x768, (2, 1), (0, 2)) + del x768 + t3new_aaaaaa += einsum(x769, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_abaaba += einsum(x769, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + del x769 + x770 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x770 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x119, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x119 + t3new_aaaaaa += einsum(x770, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x770, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x770, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x770, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + del x770 + x771 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x771 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x771, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 + x772 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x772 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x771, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) + x773 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x773 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x772, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x772 + t3new_aaaaaa += einsum(x773, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x773, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x773, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x773, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x773 + x774 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x774 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 1, 5, 3), (4, 0, 2, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x774, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -1.0 + x775 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x775 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x774, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x774 + t3new_aaaaaa += einsum(x775, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x775, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x775, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x775, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + del x775 + x776 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x776 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x716, (4, 5, 1, 3), (4, 0, 5, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x776, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 + x777 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x777 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x776, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x776 + t3new_aaaaaa += einsum(x777, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x777, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x777, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x777, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + del x777 + x778 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x778 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 3), (2, 0, 4, 5)) + x779 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x779 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x778, (2, 3, 4, 1), (2, 0, 3, 4)) + x780 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x780 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x779, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x779 + t3new_aaaaaa += einsum(x780, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x780, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x780 + x781 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x781 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x778, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + x782 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x782 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x781, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x781 + t3new_aaaaaa += einsum(x782, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x782, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x782, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x782, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x782 + x783 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x783 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x716, (4, 5, 1, 3), (4, 2, 0, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x783, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) + x784 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x784 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x783, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x783 + t3new_aaaaaa += einsum(x784, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x784, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x784 + x785 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x785 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x33, (4, 5, 1, 3), (0, 4, 5, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x785, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) + x786 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x786 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x785, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x785 + t3new_aaaaaa += einsum(x786, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x786, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x786, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x786, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x786 + x787 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x787 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) + x788 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x788 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x787, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 + del x787 + x789 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x789 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x788, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x788 + t3new_aaaaaa += einsum(x789, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x789, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x789 + x790 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x790 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 1, 5, 3), (0, 4, 2, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x790, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) + x791 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x791 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x790, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x790 + t3new_aaaaaa += einsum(x791, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x791, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x791 + x792 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x792 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 3), (0, 2, 4, 5)) + x793 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x793 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x792, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x793, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 + x794 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x794 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x793, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x793 + t3new_aaaaaa += einsum(x794, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x794, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x794 + x795 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x795 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x792, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + x796 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x796 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x795, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x795 + t3new_aaaaaa += einsum(x796, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x796, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x796 + x797 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x797 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x125, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x125 + t3new_aaaaaa += einsum(x797, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x797, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x797, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x797, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + del x797 + x798 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x798 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 2), (1, 3, 4, 5)) + x799 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x799 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x798, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x799, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 + x800 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x800 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x799, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x799 + t3new_aaaaaa += einsum(x800, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x800, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + del x800 + x801 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x801 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x123, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x123 + t3new_aaaaaa += einsum(x801, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x801, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x801, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x801, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + del x801 + x802 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x802 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 0, 5), (1, 3, 4, 5)) + x803 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x803 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x802, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x803, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * 2.0 + x804 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x804 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x803, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x803 + t3new_aaaaaa += einsum(x804, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x804, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + del x804 + x805 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x805 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x361, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) + x806 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x806 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x805, (4, 5, 6, 7, 1, 0), (4, 5, 6, 7, 2, 3)) * -1.0 + t3new_aaaaaa += einsum(x806, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x806, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x806, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x806, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x806 + x807 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x807 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x35, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x807, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 + x808 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x808 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x807, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x807 + t3new_aaaaaa += einsum(x808, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x808, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x808, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x808, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + del x808 + x809 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x809 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 1, 5), (3, 0, 4, 5)) * -1.0 + x810 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x810 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x809, (2, 3, 4, 1), (2, 0, 3, 4)) + x811 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x811 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x810, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x810 + t3new_aaaaaa += einsum(x811, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x811, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + del x811 + x812 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x812 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x35, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x812, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 + x813 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x813 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x812, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x812 + t3new_aaaaaa += einsum(x813, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x813, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x813, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x813, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + del x813 + x814 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x814 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 1, 2), (3, 0, 4, 5)) * -1.0 + x815 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x815 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x814, (2, 3, 4, 1), (2, 0, 3, 4)) + x816 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x816 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x815, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x815 + t3new_aaaaaa += einsum(x816, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x816, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + del x816 + x817 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x817 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x35, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 + x818 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x818 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x817, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) + t3new_aaaaaa += einsum(x818, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x818, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x818, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x818, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x818, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x818, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x818, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x818, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + del x818 + x819 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x819 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x361, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) + x820 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x820 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x819, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x819 + t3new_aaaaaa += einsum(x820, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x820, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x820, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x820, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x820 + x821 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x821 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x361, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) + x822 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x822 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x821, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x821 + t3new_aaaaaa += einsum(x822, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x822, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x822, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x822, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x822 + x823 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x823 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x798, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + x824 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x824 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x823, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x823 + t3new_aaaaaa += einsum(x824, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x824, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x824 + x825 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x825 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x113, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) * -1.0 + del x113 + x826 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x826 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x825, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x825 + t3new_aaaaaa += einsum(x826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x826 + x827 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x827 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x802, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + x828 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x828 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x827, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x827 + t3new_aaaaaa += einsum(x828, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x828, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x828 + x829 = np.zeros((naocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x829 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 5, 3), (1, 0, 4, 5)) * -1.0 + x830 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x830 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x829, (2, 3, 4, 0), (2, 3, 4, 1)) + del x829 + x831 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x831 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x830, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) + t3new_aaaaaa += einsum(x831, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x831, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x831, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x831, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x831, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x831, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x831, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x831, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x831 + x832 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x832 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x809, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + x833 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x833 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x832, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x832 + t3new_aaaaaa += einsum(x833, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x833, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x833, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x833, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x833 + x834 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x834 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x814, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + x835 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x835 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x834, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x834 + t3new_aaaaaa += einsum(x835, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x835, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x835, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x835, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x835 + x836 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x836 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 3), (1, 4, 2, 5)) * -1.0 + x837 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x837 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x836, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 + del x836 + x838 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x838 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x837, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x837 + t3new_aaaaaa += einsum(x838, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x838, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x838 + x839 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x839 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 3, 0, 5), (1, 4, 2, 5)) * -1.0 + x840 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x840 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x839, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 + del x839 + x841 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x841 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x840, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x840 + t3new_aaaaaa += einsum(x841, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x841, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x841 + x842 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x842 += einsum(x11, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (2, 3, 1, 4), (3, 4, 2, 0)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x842, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 + x843 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x843 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x842, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x842 + t3new_aaaaaa += einsum(x843, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x843, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x843 + x844 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x844 += einsum(x12, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (2, 3, 1, 4), (3, 4, 2, 0)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x844, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * 2.0 + x845 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x845 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x844, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x844 + t3new_aaaaaa += einsum(x845, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x845, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x845 + x846 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x846 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x131, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x131 + t3new_aaaaaa += einsum(x846, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x846, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x846 + x847 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x847 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x133, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x133 + t3new_aaaaaa += einsum(x847, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x847, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x847 + x848 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x848 += einsum(x11, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sva)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x848, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 + x849 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x849 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x848, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x848 + t3new_aaaaaa += einsum(x849, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x849, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x849, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x849, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x849 + x850 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x850 += einsum(x12, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sva)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x850, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 + x851 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x851 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x850, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x850 + t3new_aaaaaa += einsum(x851, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x851, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x851, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x851, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x851 + x852 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x852 += einsum(x11, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sVa)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x852, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * 4.0 + del x852 + x853 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x853 += einsum(x12, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sVa)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x853, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * -4.0 + del x853 + x854 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x854 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x375, (4, 1, 5, 3), (4, 0, 2, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x854, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * 2.0 + x855 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x855 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x854, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x854 + t3new_aaaaaa += einsum(x855, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x855, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x855, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x855, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x855 + x856 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x856 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x375, (4, 5, 2, 3), (1, 4, 0, 5)) * -1.0 + x857 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x857 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x856, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 + t3new_aaaaaa += einsum(x857, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x857, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x857, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x857, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x857 + x858 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x858 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x375, (4, 1, 3, 5), (4, 0, 2, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x858, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -2.0 + x859 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x859 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x858, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x858 + t3new_aaaaaa += einsum(x859, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x859, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x859, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x859, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x859 + x860 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x860 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x375, (4, 0, 3, 5), (1, 4, 2, 5)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x860, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 2.0 + x861 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x861 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x860, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x860 + t3new_aaaaaa += einsum(x861, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x861, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x861 + x862 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x862 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x375, (4, 5, 2, 3), (4, 0, 1, 5)) + x863 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x863 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x862, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) + del x862 + t3new_aaaaaa += einsum(x863, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x863, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x863 + x864 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x864 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x375, (4, 0, 5, 3), (1, 4, 2, 5)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x864, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -2.0 + x865 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x865 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x864, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x864 + t3new_aaaaaa += einsum(x865, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x865, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x865 + x866 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x866 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x389, (4, 5, 1, 3), (4, 0, 5, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x866, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 + x867 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x867 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x866, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x866 + t3new_aaaaaa += einsum(x867, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x867, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x867, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x867, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x867 + x868 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x868 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x389, (4, 1, 5, 2), (4, 3, 0, 5)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x868, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * 2.0 + x869 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x869 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x868, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x868 + t3new_aaaaaa += einsum(x869, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x869, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x869 + x870 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x870 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x389, (4, 1, 5, 3), (4, 0, 5, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x870, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 + x871 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x871 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x870, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x870 + t3new_aaaaaa += einsum(x871, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x871, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_aaaaaa += einsum(x871, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x871, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x871 + x872 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x872 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x389, (4, 5, 1, 2), (4, 3, 0, 5)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x872, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 + x873 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x873 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x872, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x872 + t3new_aaaaaa += einsum(x873, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x873, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x873 + x874 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x874 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x389, (4, 0, 1, 5), (4, 3, 2, 5)) * -1.0 + x875 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x875 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x874, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 + t3new_aaaaaa += einsum(x875, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x875, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x875, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x875, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x875 + x876 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x876 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x389, (4, 0, 1, 5), (4, 2, 3, 5)) + x877 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x877 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x876, (4, 5, 6, 2), (4, 3, 0, 1, 6, 5)) * -1.0 + del x876 + t3new_aaaaaa += einsum(x877, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x877, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x877 + x878 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x878 += einsum(x15, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (2, 3, 1, 4), (3, 4, 2, 0)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x878, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 + x879 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x879 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x878, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x878 + t3new_aaaaaa += einsum(x879, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x879, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x879 + x880 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x880 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x136, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x136 + t3new_aaaaaa += einsum(x880, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x880, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x880 + x881 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x881 += einsum(x15, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sva)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x881, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 + x882 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x882 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x881, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x881 + t3new_aaaaaa += einsum(x882, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_aaaaaa += einsum(x882, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_aaaaaa += einsum(x882, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_aaaaaa += einsum(x882, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x882 + x883 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x883 += einsum(x15, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sVa)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x883, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * 4.0 + del x883 + x884 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x884 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x121, (4, 5, 0, 6), (1, 3, 5, 4, 6, 2)) + del x121 + x885 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x885 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x884, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x884 + t3new_aaaaaa += einsum(x885, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x885, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x885, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x885, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x885 + x886 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x886 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x805, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x805 + x887 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x887 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x886, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x886 + t3new_aaaaaa += einsum(x887, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x887, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x887, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x887, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x887 + x888 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x888 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x375, (2, 3, 1, 4), (2, 0, 3, 4)) + x889 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x889 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x888, (2, 3, 4, 1), (2, 3, 0, 4)) + x890 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x890 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x889, (4, 5, 6, 0), (1, 4, 6, 5, 2, 3)) * -1.0 + del x889 + t3new_aaaaaa += einsum(x890, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x890, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x890 + x891 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x891 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x888, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 + x892 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x892 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x891, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x891 + t3new_aaaaaa += einsum(x892, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x892, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x892, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x892, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x892 + x893 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x893 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x375, (2, 3, 4, 1), (2, 0, 3, 4)) + x894 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x894 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x893, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 + x895 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x895 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x894, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x894 + t3new_aaaaaa += einsum(x895, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x895, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x895, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x895, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x895 + x896 = np.zeros((naocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x896 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x389, (2, 3, 4, 1), (2, 0, 4, 3)) + x897 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x897 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x896, (2, 3, 4, 0), (2, 3, 4, 1)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x897, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) + x898 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x898 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x897, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x897 + t3new_aaaaaa += einsum(x898, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x898, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x898, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x898, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x898 + x899 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x899 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x896, (2, 3, 0, 4), (2, 3, 4, 1)) + del x896 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x899, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 + x900 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x900 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x899, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x899 + t3new_aaaaaa += einsum(x900, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x900, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x900, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x900, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x900 + x901 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x901 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x389, (4, 5, 6, 2), (4, 3, 0, 1, 6, 5)) * -1.0 + x902 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x902 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x901, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x901 + x903 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x903 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x902, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x902 + t3new_aaaaaa += einsum(x903, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x903, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x903 + x904 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x904 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ovov, (4, 3, 0, 5), (2, 1, 4, 5)) + x905 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x905 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x904, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x905, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 + x906 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x906 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x905, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x905 + t3new_aaaaaa += einsum(x906, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_aaaaaa += einsum(x906, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x906 + x907 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x907 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ovov, (4, 5, 0, 3), (2, 1, 4, 5)) + x908 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x908 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x907, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x908, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) + x909 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x909 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x908, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x908 + t3new_aaaaaa += einsum(x909, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_aaaaaa += einsum(x909, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x909 + x910 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x910 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x904, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + x911 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x911 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x910, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x910 + t3new_aaaaaa += einsum(x911, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_aaaaaa += einsum(x911, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x911 + x912 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x912 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x907, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + x913 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x913 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x912, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x912 + t3new_aaaaaa += einsum(x913, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_aaaaaa += einsum(x913, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x913 + x914 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x914 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 5, 6), (1, 3, 0, 5, 4, 6)) + t3new_babbab += einsum(x914, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x914, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * 2.0 + x915 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x915 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 5, 6, 2), (1, 3, 4, 0, 5, 6)) + t3new_babbab += einsum(x915, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_babbab += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x915, (4, 5, 1, 6, 3, 7), (6, 0, 4, 7, 2, 5)) * 4.0 + x916 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x916 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) + t3new_babbab += einsum(x916, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x916, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * 4.0 + del x916 + x917 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x917 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) + t3new_babbab += einsum(x917, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_babbab += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x917, (4, 5, 1, 6, 3, 7), (6, 0, 4, 7, 2, 5)) * 4.0 + x918 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x918 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) + t3new_babbab += einsum(x918, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + t3new_babbab += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x918, (4, 5, 1, 6, 3, 7), (6, 0, 4, 7, 2, 5)) * 12.0 + x919 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x919 += einsum(f.aa.ov, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 3, 2, 5)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x919, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 + del x919 + x920 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x920 += einsum(f.bb.ov, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 0, 2, 5)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x920, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -2.0 + del x920 + x921 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x921 += einsum(f.bb.oV, (0, 1), t1.bb[np.ix_(sob,sVb)], (0, 2), (1, 2)) + t3new_babbab += einsum(x921, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 + t3new_bbbbbb += einsum(x921, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 + del x921 + x922 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x922 += einsum(f.bb.vO, (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 0), (1, 2)) + t3new_babbab += einsum(x922, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -2.0 + t3new_bbbbbb += einsum(x922, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -6.0 + del x922 + x923 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x923 += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(soa,sOb,sva,sVb)], (2, 3, 1, 4), (3, 4, 0, 2)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x923, (4, 5, 0, 6), (1, 6, 4, 3, 2, 5)) * -1.0 + del x923 + x924 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x924 += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(soa,sob,sva,sVb)], (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x924, (4, 0, 5, 6), (6, 5, 1, 3, 2, 4)) * -1.0 + del x924 + x925 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x925 += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 1, 4), (3, 0, 2, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x925, (4, 0, 5, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x925 + x926 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x926 += einsum(f.bb.ov, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (2, 3, 1, 4), (3, 4, 0, 2)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x926, (4, 5, 1, 6), (6, 0, 4, 3, 2, 5)) * -2.0 + x927 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x927 += einsum(f.bb.ov, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,svb)], (2, 3, 4, 1), (3, 0, 2, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x927, (4, 1, 5, 6), (5, 0, 4, 6, 2, 3)) * 2.0 + x928 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x928 += einsum(f.bb.ov, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x928, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x928 + x929 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x929 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovvO, (2, 1, 3, 4), (4, 0, 2, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x929, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) + del x929 + x930 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x930 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovvO, (4, 2, 5, 6), (6, 3, 0, 4, 1, 5)) * -1.0 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x930, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x930 + x931 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x931 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovOV, (4, 2, 5, 6), (5, 6, 0, 4, 1, 3)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x931, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x931 + x932 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x932 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoV, (2, 1, 3, 4), (4, 0, 2, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x932, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) + del x932 + x933 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x933 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovoV, (4, 2, 5, 6), (1, 6, 0, 4, 5, 3)) * -1.0 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x933, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x933 + x934 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x934 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x934, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + x935 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x935 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.oooO, (2, 0, 3, 4), (4, 2, 3, 1)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x935, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x935 + x936 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x936 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.oooo, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x936, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x936 + x937 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x937 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.oovV, (4, 5, 3, 6), (1, 6, 4, 5, 0, 2)) * -1.0 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x937, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x937 + x938 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x938 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.oovv, (4, 5, 6, 2), (1, 3, 4, 5, 0, 6)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x938, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 + del x938 + x939 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x939 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vvoO, (2, 1, 3, 4), (4, 0, 3, 2)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x939, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + del x939 + x940 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x940 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vvvV, (2, 1, 3, 4), (4, 0, 2, 3)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x940, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 2.0 + del x940 + x941 = np.zeros((naocc[1], navir[1], nocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x941 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.vvvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x941, (2, 3, 4, 1, 5, 6), (4, 0, 2, 6, 5, 3)) * 2.0 + del x941 + x942 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x942 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oooO, (2, 0, 3, 4), (4, 3, 2, 1)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x942, (4, 1, 5, 6), (5, 0, 4, 6, 2, 3)) + x943 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x943 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oooO, (2, 3, 0, 4), (4, 2, 3, 1)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x943, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + x944 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x944 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oooO, (2, 3, 0, 4), (4, 2, 3, 1)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x944, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x944 + x945 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x945 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvO, (2, 1, 3, 4), (4, 0, 2, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x945, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) + x946 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x946 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (5, 6, 0, 1, 4, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x946, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (0, 1, 2, 3, 4, 5), x946, (2, 5, 6, 7, 0, 8), (6, 7, 1, 8, 3, 4)) * -1.0 + del x946 + x947 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x947 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oOvV, (2, 3, 1, 4), (3, 4, 0, 2)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x947, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) + x948 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x948 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oOvv, (2, 3, 4, 1), (3, 0, 2, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x948, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + x949 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x949 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oOvV, (4, 5, 3, 6), (5, 6, 0, 1, 4, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x949, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x949 + x950 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x950 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oovV, (2, 3, 1, 4), (4, 2, 3, 0)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x950, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) + del x950 + x951 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x951 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.oooo, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x951, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) + del x951 + x952 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x952 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.bbbb.oovV, (4, 5, 3, 6), (1, 6, 0, 4, 5, 2)) * -1.0 + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x952, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) + del x952 + x953 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x953 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.bbbb.ovoV, (4, 3, 5, 6), (1, 6, 0, 5, 4, 2)) * -1.0 + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x953, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x953 + x954 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x954 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oooO, (2, 0, 3, 4), (4, 1, 3, 2)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x954, (4, 5, 1, 6), (6, 0, 4, 3, 2, 5)) * -1.0 + x955 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x955 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oooO, (2, 3, 0, 4), (4, 1, 2, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x955, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) + x956 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x956 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.oooO, (2, 3, 0, 4), (4, 1, 2, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x956, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) + del x956 + x957 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x957 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovvO, (0, 2, 3, 4), (4, 1, 3, 2)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x957, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) + x958 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x958 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oOvv, (0, 2, 3, 4), (2, 1, 3, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x958, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * -1.0 + x959 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x959 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.oooo, (2, 3, 4, 0), (1, 2, 3, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x959, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 + del x959 + x960 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x960 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oovv, (2, 0, 3, 4), (1, 2, 3, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x960, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) + x961 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x961 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovov, (2, 3, 0, 4), (1, 2, 3, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x961, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 + x962 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x962 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.vvoO, (4, 2, 5, 6), (6, 3, 0, 1, 5, 4)) * -1.0 + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x962, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x962 + x963 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x963 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.vvvV, (2, 1, 3, 4), (4, 0, 3, 2)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x963, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) + x964 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x964 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.vvvV, (2, 3, 1, 4), (4, 0, 2, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x964, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 + x965 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x965 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vvvV, (2, 3, 1, 4), (4, 0, 2, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x965, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 + del x965 + x966 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x966 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.vvvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x966, (2, 3, 4, 5, 1, 6), (0, 4, 2, 6, 5, 3)) + del x966 + x967 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x967 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.vvoo, (4, 2, 5, 6), (1, 3, 0, 5, 6, 4)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x967, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x967 + x968 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x968 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.vvoO, (2, 3, 0, 4), (4, 1, 2, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x968, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * -1.0 + del x968 + x969 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x969 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.vvoo, (2, 3, 4, 0), (1, 4, 2, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x969, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) + del x969 + x970 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x970 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.oovV, (2, 3, 1, 4), (0, 4, 2, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x970, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + x971 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x971 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.oovV, (2, 3, 1, 4), (0, 4, 2, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x971, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 + del x971 + x972 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x972 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x972, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) + x973 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x973 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x973, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) + del x973 + x974 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x974 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovoV, (2, 1, 3, 4), (0, 4, 3, 2)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x974, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) + x975 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x975 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x975, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + x976 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x976 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vvvV, (2, 1, 3, 4), (0, 4, 3, 2)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x976, (4, 5, 3, 6), (1, 0, 4, 6, 2, 5)) * -1.0 + x977 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x977 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vvvV, (2, 3, 1, 4), (0, 4, 2, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x977, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) + x978 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x978 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.vvvV, (2, 3, 1, 4), (0, 4, 2, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x978, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) + del x978 + x979 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x979 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x979, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -1.0 + del x979 + x980 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x980 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 6, 2), (1, 3, 4, 0, 6, 5)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x980, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 + x981 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x981 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.ovov, (2, 3, 0, 4), (1, 2, 3, 4)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x981, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 + x982 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x982 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x982, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + x983 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x983 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x983, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 + del x983 + x984 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x984 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 2, 4, 6)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x984, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x984 + x985 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=types[float]) + x985 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovOO, (2, 1, 3, 4), (3, 4, 0, 2)) + t3new_babbab += einsum(x985, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 + del x985 + x986 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x986 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovVV, (2, 1, 3, 4), (3, 4, 0, 2)) + t3new_babbab += einsum(x986, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 + del x986 + x987 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x987 += einsum(v.aabb.ovOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 6, 1, 7), (2, 7, 5, 0, 4, 6)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x987, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x987 + x988 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x988 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovOO, (0, 1, 2, 3), (2, 3)) + t3new_babbab += einsum(x988, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new_bbbbbb += einsum(x988, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + del x988 + x989 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x989 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 1, 7), (5, 7, 4, 0, 2, 6)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x989, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x989 + x990 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x990 += einsum(v.aabb.ovvv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 1, 7), (6, 7, 5, 0, 4, 2)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x990, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 + del x990 + x991 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x991 += einsum(v.aabb.ovVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 7, 1, 3), (6, 2, 5, 0, 4, 7)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x991, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 + del x991 + x992 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x992 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovVV, (0, 1, 2, 3), (2, 3)) + t3new_babbab += einsum(x992, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + t3new_bbbbbb += einsum(x992, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + del x992 + x993 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x993 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x993, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -6.0 + del x993 + x994 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x994 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.OVoO, (2, 3, 0, 4), (2, 4, 3, 1)) + t3new_babbab += einsum(x994, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * -2.0 + del x994 + x995 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x995 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.OVvV, (2, 3, 1, 4), (2, 0, 3, 4)) + t3new_babbab += einsum(x995, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * 2.0 + del x995 + x996 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=types[float]) + x996 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVoO, (2, 3, 0, 4), (2, 4, 3, 1)) + t3new_babbab += einsum(x996, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * 2.0 + del x996 + x997 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=types[float]) + x997 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.OVvv, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new_babbab += einsum(x997, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * -2.0 + del x997 + x998 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=types[float]) + x998 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVvV, (2, 3, 1, 4), (2, 3, 4, 0)) + t3new_babbab += einsum(x998, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -2.0 + del x998 + x999 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=types[float]) + x999 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.OVoo, (2, 3, 4, 0), (2, 3, 1, 4)) + t3new_babbab += einsum(x999, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * 2.0 + del x999 + x1000 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x1000 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVvv, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(x1000, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 + del x1000 + x1001 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x1001 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVoo, (2, 3, 4, 0), (2, 3, 4, 1)) + t3new_babbab += einsum(x1001, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 + del x1001 + x1002 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1002 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1002, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -2.0 + del x1002 + x1003 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1003 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1003, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 + del x1003 + x1004 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1004 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1004, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 + del x1004 + x1005 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1005 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovOO, (2, 1, 3, 4), (3, 4, 0, 2)) + t3new_babbab += einsum(x1005, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 + x1006 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1006 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovVV, (2, 1, 3, 4), (3, 4, 0, 2)) + t3new_babbab += einsum(x1006, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 + x1007 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1007 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oVvV, (2, 3, 1, 4), (3, 4, 0, 2)) + t3new_babbab += einsum(x1007, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 0), (2, 4, 5, 6, 7, 1)) * 2.0 + x1008 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1008 += einsum(v.bbbb.ovOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 1, 6, 7), (2, 7, 5, 4, 0, 6)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1008, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 + del x1008 + x1009 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1009 += einsum(v.bbbb.oOvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 2, 6, 7), (1, 7, 5, 4, 0, 6)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1009, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 + del x1009 + x1010 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x1010 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovOO, (0, 1, 2, 3), (2, 3)) + t3new_babbab += einsum(x1010, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new_bbbbbb += einsum(x1010, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + del x1010 + x1011 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x1011 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oOvO, (0, 2, 1, 3), (2, 3)) + t3new_babbab += einsum(x1011, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 + t3new_bbbbbb += einsum(x1011, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 + del x1011 + x1012 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1012 += einsum(v.bbbb.ovVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 1, 7, 3), (6, 2, 5, 4, 0, 7)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1012, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 + del x1012 + x1013 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x1013 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovVV, (0, 1, 2, 3), (2, 3)) + t3new_babbab += einsum(x1013, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + t3new_bbbbbb += einsum(x1013, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + del x1013 + x1014 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x1014 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oVvV, (0, 2, 1, 3), (2, 3)) + t3new_babbab += einsum(x1014, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 + t3new_bbbbbb += einsum(x1014, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 + del x1014 + x1015 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1015 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oooV, (2, 0, 3, 4), (1, 4, 3, 2)) + t3new_babbab += einsum(x1015, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 6, 7, 1), (3, 4, 5, 6, 7, 0)) * -2.0 + x1016 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1016 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oooV, (2, 3, 0, 4), (1, 4, 2, 3)) + t3new_babbab += einsum(x1016, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 + x1017 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1017 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.oooV, (2, 3, 0, 4), (1, 4, 2, 3)) + t3new_babbab += einsum(x1017, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 + del x1017 + x1018 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1018 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oVOO, (0, 2, 3, 4), (3, 4, 1, 2)) + t3new_babbab += einsum(x1018, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 + t3new_bbbbbb += einsum(x1018, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 + del x1018 + x1019 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1019 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oOOV, (0, 2, 3, 4), (3, 2, 1, 4)) + t3new_babbab += einsum(x1019, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -2.0 + t3new_bbbbbb += einsum(x1019, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -6.0 + del x1019 + x1020 = np.zeros((navir[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1020 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovvV, (0, 2, 3, 4), (1, 4, 3, 2)) + t3new_babbab += einsum(x1020, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 + x1021 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1021 += einsum(v.aabb.vvov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 1, 7), (6, 7, 5, 4, 2, 0)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1021, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 + del x1021 + x1022 = np.zeros((navir[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1022 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.vvoV, (2, 3, 0, 4), (1, 4, 2, 3)) + t3new_babbab += einsum(x1022, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -2.0 + del x1022 + x1023 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1023 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.oovO, (2, 3, 1, 4), (0, 4, 2, 3)) + t3new_babbab += einsum(x1023, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 + x1024 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=types[float]) + x1024 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.oovO, (2, 3, 1, 4), (0, 4, 2, 3)) + t3new_babbab += einsum(x1024, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 + del x1024 + x1025 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1025 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vvvO, (2, 3, 1, 4), (0, 4, 2, 3)) + t3new_babbab += einsum(x1025, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -2.0 + x1026 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1026 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vvvO, (2, 1, 3, 4), (0, 4, 3, 2)) + t3new_babbab += einsum(x1026, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 2, 6, 7), (4, 5, 0, 3, 6, 7)) * 2.0 + x1027 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1027 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vOVV, (1, 2, 3, 4), (0, 2, 3, 4)) + t3new_babbab += einsum(x1027, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 + t3new_bbbbbb += einsum(x1027, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 + del x1027 + x1028 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1028 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vVOV, (1, 2, 3, 4), (0, 3, 4, 2)) + t3new_babbab += einsum(x1028, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 2.0 + t3new_bbbbbb += einsum(x1028, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 6.0 + del x1028 + x1029 = np.zeros((naocc[1], naocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1029 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.vvvO, (2, 3, 1, 4), (0, 4, 2, 3)) + t3new_babbab += einsum(x1029, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 + del x1029 + x1030 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1030 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoO, (0, 4, 1, 5), (5, 3, 2, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1030, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * -1.0 + del x1030 + x1031 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1031 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoO, (0, 2, 4, 5), (5, 3, 1, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1031, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + x1032 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1032 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoO, (4, 2, 1, 5), (5, 0, 4, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1032, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x1032 + x1033 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1033 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoO, (4, 2, 1, 5), (5, 3, 0, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1033, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 + del x1033 + x1034 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1034 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoO, (0, 2, 4, 5), (5, 1, 4, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1034, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + x1035 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1035 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoO, (0, 4, 1, 5), (5, 2, 4, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1035, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -1.0 + del x1035 + x1036 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1036 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 2), (1, 3, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1036, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 + del x1036 + x1037 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1037 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 2), (1, 3, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1037, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) + del x1037 + x1038 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1038 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 2), (1, 4, 5, 3)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1038, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x1038 + x1039 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1039 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 2), (3, 4, 5, 1)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1039, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) + del x1039 + x1040 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1040 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 2), (1, 4, 5, 3)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1040, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) + del x1040 + x1041 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1041 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 2), (3, 4, 5, 1)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1041, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 + del x1041 + x1042 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1042 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 5), (1, 3, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1042, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + x1043 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1043 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1043, (4, 5, 6, 0, 7, 1), (7, 6, 4, 3, 2, 5)) + x1044 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1044 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 5), (1, 4, 5, 3)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1044, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + x1045 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1045 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 2, 5, 1), (3, 0, 4, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1045, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) + del x1045 + x1046 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1046 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 4, 5, 1), (3, 5, 2, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1046, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) + del x1046 + x1047 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1047 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1047, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) + del x1047 + x1048 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1048 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (4, 2, 3, 5), (5, 0, 4, 1)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1048, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) + del x1048 + x1049 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1049 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (0, 2, 4, 5), (1, 5, 3, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1049, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) + x1050 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1050 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (4, 2, 3, 5), (1, 5, 0, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1050, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) + del x1050 + x1051 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1051 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (0, 2, 4, 5), (5, 1, 3, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1051, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) + x1052 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1052 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (0, 4, 3, 5), (5, 1, 2, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1052, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) + del x1052 + x1053 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1053 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1053, (4, 5, 2, 6), (1, 0, 4, 3, 6, 5)) * -1.0 + del x1053 + x1054 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1054 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1054, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) + x1055 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1055 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1055, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) + del x1055 + x1056 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x1056 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1056, (4, 5, 6, 0, 2, 7), (1, 6, 4, 3, 7, 5)) + del x1056 + x1057 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1057 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1057, (4, 5, 6, 0, 7, 3), (1, 6, 4, 7, 2, 5)) * -1.0 + x1058 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x1058 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1058, (4, 5, 6, 0, 7, 2), (1, 6, 4, 3, 7, 5)) * -1.0 + del x1058 + x1059 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1059 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1059, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -1.0 + del x1059 + x1060 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1060 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 4, 5, 2), (1, 4, 5, 3)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1060, (4, 2, 5, 6), (1, 0, 4, 6, 5, 3)) * -1.0 + del x1060 + x1061 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1061 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 2, 4, 5), (1, 4, 5, 3)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1061, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) + del x1061 + x1062 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1062 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 2, 5, 3), (1, 0, 4, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1062, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x1062 + x1063 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1063 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 2, 4, 5), (3, 1, 4, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1063, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) + x1064 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1064 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 2, 4, 5), (3, 1, 4, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1064, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) + del x1064 + x1065 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1065 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 4, 5, 2), (3, 1, 4, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1065, (4, 5, 2, 6), (5, 0, 1, 3, 6, 4)) * -1.0 + del x1065 + x1066 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1066 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (1, 3, 4, 5), (5, 0, 4, 2)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1066, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + del x1066 + x1067 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1067 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoO, (4, 2, 1, 5), (5, 3, 0, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1067, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 + x1068 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1068 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (4, 3, 1, 5), (5, 0, 4, 2)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1068, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1068 + x1069 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1069 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoO, (1, 2, 4, 5), (5, 3, 0, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1069, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 + x1070 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1070 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoO, (1, 4, 0, 5), (5, 3, 2, 4)) * -1.0 + x1071 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1071 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1070, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + t3new_babbab += einsum(x1071, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new_babbab += einsum(x1071, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x1071 + x1072 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1072 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (4, 3, 1, 5), (5, 0, 4, 2)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1072, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 + x1073 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1073 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (1, 3, 4, 5), (5, 0, 4, 2)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1073, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 + x1074 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1074 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 0, 2), (1, 3, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1074, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 + x1075 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1075 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 0, 5, 2), (1, 3, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1075, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 + x1076 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1076 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 6, 2), (1, 3, 4, 5, 0, 6)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1076, (4, 5, 0, 6, 7, 1), (7, 6, 4, 3, 2, 5)) * 2.0 + x1077 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1077 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 0, 2), (1, 3, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1077, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -2.0 + del x1077 + x1078 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1078 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1078, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 + x1079 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1079 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1079, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 + x1080 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1080 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1080, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 + del x1080 + x1081 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1081 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1081, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * 2.0 + del x1081 + x1082 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1082 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (1, 3, 4, 5), (5, 0, 2, 4)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1082, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 2.0 + del x1082 + x1083 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1083 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (4, 3, 2, 5), (1, 5, 0, 4)) * -1.0 + x1084 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1084 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1083, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + t3new_babbab += einsum(x1084, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + t3new_babbab += einsum(x1084, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 + del x1084 + x1085 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1085 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (1, 4, 3, 5), (5, 0, 2, 4)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1085, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 + del x1085 + x1086 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1086 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1086, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * 2.0 + x1087 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1087 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (0, 3, 4, 5), (1, 5, 2, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1087, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * -2.0 + x1088 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1088 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1088, (4, 5, 6, 1, 3, 7), (6, 0, 4, 7, 2, 5)) * 2.0 + t3new_bbbbbb += einsum(x1088, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1088, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1088, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1088, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + x1089 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1089 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1089, (4, 5, 6, 1, 3, 7), (6, 0, 4, 7, 2, 5)) * -2.0 + x1090 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1090 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1090, (4, 5, 3, 6), (1, 0, 4, 6, 2, 5)) * -2.0 + x1091 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1091 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1091, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * 2.0 + x1092 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1092 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 3, 5, 2), (1, 0, 4, 5)) + x1093 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1093 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1092, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + t3new_babbab += einsum(x1093, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new_babbab += einsum(x1093, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x1093 + x1094 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1094 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 + x1095 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1095 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1094, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + t3new_babbab += einsum(x1095, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new_babbab += einsum(x1095, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x1095 + x1096 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1096 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1096, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + del x1096 + x1097 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1097 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 2), (3, 4, 5, 0)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1097, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * 2.0 + del x1097 + x1098 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1098 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (1, 4, 3, 5), (5, 0, 2, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1098, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -2.0 + x1099 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1099 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (1, 3, 4, 5), (5, 0, 2, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1099, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 2.0 + x1100 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1100 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 4, 5, 2), (3, 0, 4, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1100, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) * 2.0 + x1101 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1101 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 2, 4, 5), (3, 0, 4, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1101, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -2.0 + x1102 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1102 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 6, 2), (1, 3, 0, 6, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1102, (4, 5, 6, 1, 7, 2), (6, 0, 4, 3, 7, 5)) * -2.0 + x1103 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1103 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 0, 2), (1, 3, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1103, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * 2.0 + del x1103 + x1104 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1104 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 1, 5), (3, 0, 4, 5)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1104, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 2.0 + del x1104 + x1105 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1105 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1105, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -2.0 + del x1105 + x1106 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1106 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 5, 3), (1, 0, 5, 4)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1106, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1106 + x1107 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1107 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 1, 2), (3, 0, 4, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1107, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -2.0 + del x1107 + x1108 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1108 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aabb.ovoO, (1, 3, 4, 5), (5, 0, 4, 2)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1108, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -4.0 + del x1108 + x1109 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1109 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aabb.ovvV, (1, 3, 4, 5), (5, 0, 2, 4)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1109, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 4.0 + del x1109 + x1110 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1110 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (5, 1, 6, 3, 0, 4)) + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1110, (2, 6, 5, 7, 8, 0), (1, 8, 6, 4, 3, 7)) * -1.0 + del x1110 + x1111 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1111 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (6, 1, 5, 3, 0, 4)) + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1111, (2, 6, 5, 7, 8, 0), (1, 8, 6, 4, 3, 7)) + del x1111 + x1112 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1112 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (4, 1, 5, 3)) + t3new_babbab += einsum(x1112, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * 2.0 + del x1112 + x1113 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1113 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (5, 1, 4, 3)) + t3new_babbab += einsum(x1113, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * -2.0 + del x1113 + x1114 = np.zeros((naocc[0], naocc[1], navir[0], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1114 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (5, 1, 6, 0, 4, 3)) * -1.0 + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (0, 1, 2, 3, 4, 5), x1114, (2, 6, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * -1.0 + del x1114 + x1115 = np.zeros((naocc[0], naocc[1], navir[0], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1115 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (6, 1, 5, 0, 4, 3)) * -1.0 + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (0, 1, 2, 3, 4, 5), x1115, (2, 6, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) + del x1115 + x1116 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1116 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 2, 1, 6, 3), (6, 4, 0, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1116, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -2.0 + del x1116 + x1117 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=types[float]) + x1117 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (4, 1, 5, 3)) * -1.0 + t3new_babbab += einsum(x1117, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * 2.0 + del x1117 + x1118 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=types[float]) + x1118 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (5, 1, 4, 3)) * -1.0 + t3new_babbab += einsum(x1118, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * -2.0 + del x1118 + x1119 = np.zeros((naocc[0], navir[0], navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1119 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (5, 6, 3, 0, 4, 1)) * -1.0 + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1119, (2, 5, 6, 7, 0, 8), (8, 7, 1, 4, 3, 6)) * -1.0 + del x1119 + x1120 = np.zeros((naocc[0], navir[0], navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1120 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (6, 5, 3, 0, 4, 1)) * -1.0 + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1120, (2, 5, 6, 7, 0, 8), (8, 7, 1, 4, 3, 6)) + del x1120 + x1121 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1121 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1121, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -2.0 + del x1121 + x1122 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=types[float]) + x1122 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (4, 5, 3, 1)) * -1.0 + t3new_babbab += einsum(x1122, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * 2.0 + del x1122 + x1123 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=types[float]) + x1123 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (5, 4, 3, 1)) * -1.0 + t3new_babbab += einsum(x1123, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -2.0 + del x1123 + x1124 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1124 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (5, 6, 0, 4, 1, 3)) + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (0, 1, 2, 3, 4, 5), x1124, (2, 5, 6, 0, 7, 8), (7, 6, 1, 8, 3, 4)) * -1.0 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1124, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x1124 + x1125 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1125 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (6, 5, 0, 4, 1, 3)) + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (0, 1, 2, 3, 4, 5), x1125, (2, 5, 6, 0, 7, 8), (7, 6, 1, 8, 3, 4)) + del x1125 + x1126 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1126 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 2, 1, 6, 3), (5, 6, 4, 0)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1126, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -2.0 + del x1126 + x1127 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x1127 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (4, 5, 1, 3)) + t3new_babbab += einsum(x1127, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 + del x1127 + x1128 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x1128 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (5, 4, 1, 3)) + t3new_babbab += einsum(x1128, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 + del x1128 + x1129 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1129 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 4, 3, 5, 6), (4, 6, 5, 1)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1129, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * -2.0 + del x1129 + x1130 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1130 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 4, 5, 1, 6), (4, 6, 5, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1130, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * -2.0 + t3new_bbbbbb = np.zeros((nocc[1], nocc[1], naocc[1], nvir[1], navir[1], navir[1]), dtype=types[float]) + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1130, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * 4.0 + x1131 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1131 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 3, 1, 6), (5, 6, 4, 2)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1131, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 + t3new_bbbbbb = np.zeros((nocc[1], naocc[1], naocc[1], nvir[1], nvir[1], navir[1]), dtype=types[float]) + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1131, (4, 5, 6, 0), (6, 4, 1, 2, 3, 5)) * 4.0 + x1132 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1132 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 3, 6, 7), (5, 7, 4, 2, 6, 1)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1132, (4, 5, 6, 1, 7, 2), (6, 0, 4, 3, 7, 5)) * 2.0 + del x1132 + x1133 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1133 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 6, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1133, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 2.0 + t3new_bbbbbb += einsum(x1133, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1133, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1133, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1133, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + x1134 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1134 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 3, 1, 6), (5, 6, 4, 0)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1134, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -2.0 + del x1134 + x1135 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x1135 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1135, (4, 5, 6, 0, 7, 2), (1, 6, 4, 3, 7, 5)) * 2.0 + del x1135 + x1136 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1136 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1136, (4, 5, 6, 0, 7, 3), (1, 6, 4, 7, 2, 5)) * 2.0 + del x1136 + x1137 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1137 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 1, 7), (6, 7, 5, 0, 4, 2)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1137, (4, 5, 6, 0, 7, 1), (7, 6, 4, 3, 2, 5)) * 2.0 + x1138 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1138 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 4, 5, 6, 3), (4, 6, 1, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1138, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -2.0 + del x1138 + x1139 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1139 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoV, (4, 2, 1, 5), (3, 5, 0, 4)) * -1.0 + t3new_babbab += einsum(x1139, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 + del x1139 + x1140 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1140 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 6, 1, 3), (5, 4, 0, 6)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1140, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -2.0 + del x1140 + x1141 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1141 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoV, (0, 2, 4, 5), (3, 5, 1, 4)) * -1.0 + t3new_babbab += einsum(x1141, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 + x1142 = np.zeros((navir[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1142 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoV, (0, 4, 1, 5), (3, 5, 2, 4)) * -1.0 + t3new_babbab += einsum(x1142, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -2.0 + del x1142 + x1143 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x1143 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoV, (0, 2, 1, 4), (3, 4)) * -1.0 + t3new_babbab += einsum(x1143, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + t3new_bbbbbb += einsum(x1143, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + del x1143 + x1144 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1144 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 3, 2, 5, 6), (6, 4, 5, 1)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1144, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -2.0 + del x1144 + x1145 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=types[float]) + x1145 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvO, (4, 2, 3, 5), (1, 5, 0, 4)) * -1.0 + t3new_babbab += einsum(x1145, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * -2.0 + del x1145 + x1146 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1146 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1146, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -2.0 + x1147 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1147 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 2, 1, 6), (6, 5, 0, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1147, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -2.0 + del x1147 + x1148 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1148 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvO, (0, 2, 4, 5), (1, 5, 3, 4)) * -1.0 + t3new_babbab += einsum(x1148, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -2.0 + x1149 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x1149 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvO, (0, 2, 3, 4), (1, 4)) * -1.0 + t3new_babbab += einsum(x1149, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 + t3new_bbbbbb += einsum(x1149, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 + del x1149 + x1150 = np.zeros((naocc[1], naocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1150 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvO, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 + t3new_babbab += einsum(x1150, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 + del x1150 + x1151 = np.zeros((naocc[1], naocc[1], navir[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1151 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) + t3new_babbab += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1151, (6, 2, 7, 5, 8, 1), (0, 8, 6, 3, 4, 7)) * -2.0 + del x1151 + x1152 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1152 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) + t3new_babbab += einsum(x1152, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 + t3new_bbbbbb += einsum(x1152, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 + del x1152 + x1153 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1153 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (0, 2, 4, 5, 3, 6), (4, 6, 5, 1)) + x1154 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1154 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1153, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + t3new_babbab += einsum(x1154, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 + t3new_babbab += einsum(x1154, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 + del x1154 + x1155 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1155 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 3, 1, 6), (5, 6, 4, 0)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1155, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -6.0 + x1156 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1156 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1156, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 6.0 + t3new_bbbbbb += einsum(x1156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x1156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x1156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + x1157 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1157 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1157, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -6.0 + x1158 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1158 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 1, 3), (5, 4, 0, 6)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1158, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 6.0 + x1159 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1159 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 0, 3, 5, 2, 6), (6, 4, 5, 1)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1159, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 3.0 + x1160 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1160 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1160, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -3.0 + x1161 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1161 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 6, 2), (4, 1, 5, 3, 0, 6)) + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1161, (2, 6, 5, 7, 8, 1), (8, 0, 6, 4, 3, 7)) * -4.0 + del x1161 + x1162 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1162 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 0, 2), (4, 1, 5, 3)) + t3new_babbab += einsum(x1162, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * 4.0 + del x1162 + x1163 = np.zeros((naocc[0], naocc[1], navir[0], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1163 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 6, 3), (4, 1, 5, 0, 6, 2)) * -1.0 + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (0, 1, 2, 3, 4, 5), x1163, (2, 6, 5, 7, 1, 8), (7, 0, 6, 8, 3, 4)) * 4.0 + del x1163 + x1164 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=types[float]) + x1164 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 0, 3), (4, 1, 5, 2)) * -1.0 + t3new_babbab += einsum(x1164, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * -4.0 + del x1164 + x1165 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1165 += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 3, 1), (5, 4, 2, 6)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1165, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 4.0 + del x1165 + x1166 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=types[float]) + x1166 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 1, 2), (4, 5, 3, 0)) * -1.0 + t3new_babbab += einsum(x1166, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -4.0 + del x1166 + x1167 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x1167 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 1, 3), (4, 5, 0, 2)) + t3new_babbab += einsum(x1167, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 4.0 + del x1167 + x1168 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1168 += einsum(x18, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (3, 6, 2, 0, 5, 4)) * -1.0 + t3new_babbab += einsum(x1168, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_babbab += einsum(x1168, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1168 + x1169 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1169 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1169, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * -4.0 + del x1169 + x1170 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1170 += einsum(x37, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 5, 4)) * -1.0 + t3new_babbab += einsum(x1170, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_babbab += einsum(x1170, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1170 + x1171 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1171 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 1, 7), (5, 7, 0, 4, 3, 6)) + t3new_babbab += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1171, (4, 5, 1, 6, 3, 7), (6, 0, 4, 7, 2, 5)) * -4.0 + x1172 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1172 += einsum(x183, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 5, 0)) * -1.0 + t3new_babbab += einsum(x1172, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_babbab += einsum(x1172, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1172 + x1173 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1173 += einsum(x111, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 2, 0, 5)) * -1.0 + t3new_babbab += einsum(x1173, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_babbab += einsum(x1173, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1173 + x1174 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1174 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 1, 6, 3), (5, 4, 0, 6)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1174, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 4.0 + del x1174 + x1175 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1175 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (1, 2, 4, 5), (3, 5, 0, 4)) * -1.0 + t3new_babbab += einsum(x1175, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 4.0 + x1176 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1176 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (4, 2, 1, 5), (3, 5, 0, 4)) * -1.0 + t3new_babbab += einsum(x1176, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -4.0 + x1177 = np.zeros((navir[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1177 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (1, 4, 0, 5), (3, 5, 2, 4)) * -1.0 + t3new_babbab += einsum(x1177, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 + x1178 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x1178 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (1, 2, 0, 4), (3, 4)) * -1.0 + t3new_babbab += einsum(x1178, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + t3new_bbbbbb += einsum(x1178, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + del x1178 + x1179 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x1179 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (1, 2, 0, 4), (3, 4)) * -1.0 + t3new_babbab += einsum(x1179, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + t3new_bbbbbb += einsum(x1179, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + del x1179 + x1180 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1180 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 4, 3, 2, 5, 6), (6, 4, 5, 1)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1180, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 2.0 + del x1180 + x1181 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1181 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvO, (4, 3, 2, 5), (1, 5, 0, 4)) * -1.0 + x1182 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1182 += einsum(x1181, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 1, 5, 6, 7), (0, 7, 4, 2, 6, 5)) + t3new_babbab += einsum(x1182, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new_babbab += einsum(x1182, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x1182 + x1183 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1183 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 4, 3, 1, 5, 6), (6, 4, 5, 2)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1183, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 + del x1183 + x1184 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1184 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvO, (0, 3, 4, 5), (1, 5, 2, 4)) * -1.0 + t3new_babbab += einsum(x1184, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 4.0 + x1185 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x1185 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvO, (0, 3, 2, 4), (1, 4)) * -1.0 + x1186 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1186 += einsum(x1185, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (0, 6, 3, 2, 5, 4)) + t3new_babbab += einsum(x1186, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_babbab += einsum(x1186, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1186 + x1187 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1187 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvO, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 + t3new_babbab += einsum(x1187, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -4.0 + x1188 = np.zeros((naocc[1], naocc[1], navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1188 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) + t3new_babbab += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1188, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * -2.0 + x1189 = np.zeros((naocc[1], naocc[1], navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1189 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 2, 6), (1, 6, 3, 5, 0, 4)) + t3new_babbab += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1189, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * 2.0 + x1190 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1190 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) + t3new_babbab += einsum(x1190, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 4.0 + t3new_bbbbbb += einsum(x1190, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 12.0 + del x1190 + x1191 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1191 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.oVvO, (0, 4, 2, 5), (1, 5, 3, 4)) + t3new_babbab += einsum(x1191, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -4.0 + t3new_bbbbbb += einsum(x1191, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -12.0 + del x1191 + x1192 = np.zeros((naocc[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1192 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoO, (2, 1, 3, 4), (4, 0, 2, 3)) + x1193 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1193 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1192, (2, 3, 0, 4), (2, 3, 4, 1)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1193, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1193 + x1194 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1194 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x151, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1194, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x1194 + x1195 = np.zeros((navir[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1195 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovvV, (2, 1, 3, 4), (4, 0, 2, 3)) + x1196 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1196 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1195, (4, 5, 6, 3), (1, 4, 5, 6, 0, 2)) * -1.0 + del x1195 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1196, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x1196 + x1197 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1197 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x915, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1197, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 + del x1197 + x1198 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1198 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1192, (2, 3, 4, 0), (2, 3, 4, 1)) + del x1192 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1198, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x1198 + x1199 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1199 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoO, (4, 2, 5, 6), (6, 3, 0, 4, 1, 5)) * -1.0 + x1200 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1200 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1199, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x1199 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1200, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) + del x1200 + x1201 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1201 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovvV, (2, 3, 1, 4), (4, 2, 0, 3)) + x1202 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1202 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1201, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1202, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) + del x1202 + x1203 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1203 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x151, (4, 0, 5, 6), (1, 3, 4, 6, 5, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1203, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) + del x1203 + x1204 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1204 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1201, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1204, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x1204 + x1205 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1205 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1057, (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 0, 6)) + del x1057 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1205, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x1205 + x1206 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1206 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1043, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x1043 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1206, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) + del x1206 + x1207 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1207 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.ovoO, (2, 3, 0, 4), (4, 1, 2, 3)) + t3new_bbbbbb += einsum(x1207, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 + x1208 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1208 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1207, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1208, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) + del x1208 + x1209 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1209 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1207, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) + del x1207 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1209, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) + del x1209 + x1210 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1210 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.ovoo, (2, 3, 4, 0), (1, 2, 4, 3)) + x1211 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1211 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1210, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1211, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 + del x1211 + x1212 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1212 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1210, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1212, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) + del x1212 + x1213 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1213 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ovvV, (2, 3, 1, 4), (0, 4, 2, 3)) + t3new_bbbbbb += einsum(x1213, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 + x1214 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1214 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1213, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1214, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 + del x1214 + x1215 = np.zeros((naocc[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1215 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) + x1216 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1216 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1215, (2, 3, 1, 4), (2, 0, 3, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1216, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) + del x1216 + x1217 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1217 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1213, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) + del x1213 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1217, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x1217 + x1218 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1218 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1215, (4, 5, 2, 6), (4, 3, 0, 5, 1, 6)) * -1.0 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1218, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x1218 + x1219 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1219 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x156, (4, 5, 6, 0), (1, 3, 5, 4, 6, 2)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1219, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x1219 + x1220 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1220 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1076, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x1076 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1220, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x1220 + x1221 = np.zeros((navir[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1221 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.ooov, (2, 3, 0, 4), (1, 2, 3, 4)) + x1222 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1222 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1221, (4, 5, 6, 3), (1, 4, 6, 5, 0, 2)) * -1.0 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1222, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 + del x1222 + x1223 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1223 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1102, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) + del x1102 + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1223, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 + del x1223 + x1224 = np.zeros((navir[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1224 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.vvov, (2, 3, 0, 4), (1, 2, 3, 4)) + x1225 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1225 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1224, (2, 3, 1, 4), (2, 0, 3, 4)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1225, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 + del x1225 + x1226 = np.zeros((naocc[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1226 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) + x1227 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1227 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1226, (2, 3, 0, 4), (2, 3, 4, 1)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1227, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1227 + x1228 = np.zeros((naocc[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1228 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.vvov, (2, 3, 4, 1), (0, 4, 2, 3)) + x1229 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1229 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1228, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1229, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + del x1229 + x1230 = np.zeros((naocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1230 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovoO, (2, 1, 3, 4), (4, 0, 3, 2)) + x1231 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1231 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1230, (2, 3, 4, 0), (2, 3, 4, 1)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1231, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) + x1232 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1232 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1230, (2, 3, 0, 4), (2, 3, 4, 1)) + del x1230 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1232, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + x1233 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1233 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x156, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1233, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x1233 + x1234 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1234 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvV, (2, 1, 3, 4), (4, 0, 2, 3)) + x1235 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1235 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1234, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1235, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x1235 + x1236 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1236 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvV, (2, 3, 1, 4), (4, 0, 2, 3)) + x1237 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1237 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1236, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1237, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x1237 + x1238 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1238 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovoO, (0, 2, 3, 4), (4, 1, 3, 2)) + x1239 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1239 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1238, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1239, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + x1240 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1240 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovoO, (2, 3, 0, 4), (4, 1, 2, 3)) + x1241 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1241 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1240, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1241, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) + x1242 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1242 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1240, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1242, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x1242 + x1243 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1243 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1238, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1243, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x1243 + x1244 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1244 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1221, (2, 3, 4, 1), (2, 4, 3, 0)) + del x1221 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1244, (4, 0, 5, 6), (6, 5, 1, 3, 2, 4)) * -1.0 + del x1244 + x1245 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1245 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ooov, (2, 3, 0, 4), (1, 2, 3, 4)) + x1246 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1246 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1245, (4, 5, 6, 3), (1, 4, 0, 6, 5, 2)) * -1.0 + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1246, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x1246 + x1247 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1247 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ooov, (2, 0, 3, 4), (1, 2, 3, 4)) + x1248 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1248 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1247, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1248, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x1248 + x1249 = np.zeros((navir[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x1249 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovvv, (0, 2, 3, 4), (1, 2, 3, 4)) + x1250 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1250 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1249, (2, 1, 3, 4), (2, 0, 4, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1250, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) + x1251 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1251 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1249, (2, 3, 4, 1), (2, 0, 3, 4)) + del x1249 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1251, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) * -1.0 + x1252 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1252 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x914, (2, 3, 4, 5, 6, 1), (2, 3, 4, 0, 5, 6)) + del x914 + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1252, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x1252 + x1253 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1253 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1224, (2, 3, 4, 1), (2, 0, 4, 3)) + del x1224 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1253, (4, 5, 2, 6), (5, 0, 1, 3, 6, 4)) + del x1253 + x1254 = np.zeros((naocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1254 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) + x1255 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1255 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1254, (2, 3, 0, 4), (2, 3, 4, 1)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1255, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) + x1256 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1256 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1254, (2, 3, 4, 0), (2, 4, 3, 1)) + del x1254 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1256, (4, 1, 5, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + x1257 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1257 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1226, (2, 3, 4, 0), (2, 4, 3, 1)) + del x1226 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1257, (4, 0, 5, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x1257 + x1258 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1258 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvV, (2, 3, 1, 4), (0, 4, 2, 3)) + x1259 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1259 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1258, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1259, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + x1260 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1260 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvV, (2, 1, 3, 4), (0, 4, 2, 3)) + x1261 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1261 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1260, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1261, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) + x1262 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1262 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) + x1263 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1263 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1262, (2, 3, 1, 4), (2, 0, 3, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1263, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) + x1264 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1264 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) + x1265 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1265 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1264, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1265, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + x1266 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1266 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1260, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1266, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x1266 + x1267 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1267 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1258, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1267, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x1267 + x1268 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1268 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ooov, (4, 0, 5, 3), (2, 1, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1268, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + x1269 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1269 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ooov, (4, 5, 0, 3), (2, 1, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1269, (4, 5, 1, 6), (6, 0, 4, 3, 2, 5)) + x1270 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1270 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.aabb.ooov, (4, 5, 0, 3), (2, 1, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1270, (4, 5, 0, 6), (1, 6, 4, 3, 2, 5)) + del x1270 + x1271 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1271 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ovvv, (0, 3, 4, 5), (2, 1, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1271, (4, 5, 3, 6), (1, 0, 4, 6, 2, 5)) * -1.0 + x1272 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1272 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ovvv, (0, 4, 5, 3), (2, 1, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1272, (4, 5, 3, 6), (1, 0, 4, 6, 2, 5)) + x1273 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1273 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1228, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 + del x1228 + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1273, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x1273 + x1274 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1274 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.aabb.vvov, (4, 5, 0, 3), (2, 1, 4, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1274, (4, 5, 2, 6), (1, 0, 4, 3, 6, 5)) * -1.0 + del x1274 + x1275 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1275 += einsum(x35, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 2, 4, 6)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1275, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 + del x1275 + x1276 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1276 += einsum(x35, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1276, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x1276 + x1277 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1277 += einsum(x11, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 0, 2, 5)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1277, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 + del x1277 + x1278 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1278 += einsum(x12, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 0, 2, 5)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1278, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x1278 + x1279 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1279 += einsum(x33, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1279, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -6.0 + del x1279 + x1280 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1280 += einsum(x33, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1280, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 + del x1280 + x1281 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1281 += einsum(x13, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1281, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x1281 + x1282 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1282 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1137, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x1137 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1282, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x1282 + x1283 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1283 += einsum(x15, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 0, 2, 5)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1283, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 + del x1283 + x1284 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1284 += einsum(x0, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 0, 5)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1284, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 + del x1284 + x1285 = np.zeros((navir[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1285 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) + x1286 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1286 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1285, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(x1286, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 + del x1286 + x1287 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1287 += einsum(x1285, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 7, 3, 1), (6, 0, 5, 2, 4, 7)) + del x1285 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1287, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x1287 + x1288 = np.zeros((navir[1], nocc[1]), dtype=types[float]) + x1288 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoV, (0, 1, 2, 3), (3, 2)) + x1289 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x1289 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1288, (2, 0), (1, 2)) + del x1288 + t3new_babbab += einsum(x1289, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + t3new_bbbbbb += einsum(x1289, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + del x1289 + x1290 = np.zeros((naocc[1], naocc[1], nocc[0], nvir[0]), dtype=types[float]) + x1290 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) + x1291 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=types[float]) + x1291 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1290, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(x1291, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 + del x1291 + x1292 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1292 += einsum(x1290, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 5, 2, 4, 6)) + del x1290 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1292, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x1292 + x1293 = np.zeros((naocc[1], nvir[1]), dtype=types[float]) + x1293 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovvO, (0, 1, 2, 3), (3, 2)) + x1294 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x1294 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), x1293, (2, 1), (0, 2)) + del x1293 + t3new_babbab += einsum(x1294, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new_bbbbbb += einsum(x1294, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + del x1294 + x1295 = np.zeros((naocc[0], naocc[1], navir[0], nocc[1]), dtype=types[float]) + x1295 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.OVov, (2, 3, 4, 1), (2, 0, 3, 4)) + x1296 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1296 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1295, (2, 3, 4, 0), (2, 3, 4, 1)) + t3new_babbab += einsum(x1296, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * -2.0 + del x1296 + x1297 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=types[float]) + x1297 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1295, (2, 3, 4, 0), (2, 3, 4, 1)) + del x1295 + t3new_babbab += einsum(x1297, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * 2.0 + del x1297 + x1298 = np.zeros((naocc[0], navir[0], navir[1], nvir[1]), dtype=types[float]) + x1298 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.OVov, (2, 3, 0, 4), (2, 3, 1, 4)) + x1299 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=types[float]) + x1299 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1298, (2, 3, 4, 1), (2, 3, 4, 0)) + del x1298 + t3new_babbab += einsum(x1299, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * 2.0 + del x1299 + x1300 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x1300 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x169, (2, 3, 4, 0), (2, 3, 4, 1)) + del x169 + t3new_babbab += einsum(x1300, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 + del x1300 + x1301 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1301 += einsum(x16, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1301, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 + del x1301 + x1302 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1302 += einsum(x16, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1302, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 + del x1302 + x1303 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1303 += einsum(x1, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 0, 5)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1303, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 + del x1303 + x1304 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1304 += einsum(x20, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 0, 5)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1304, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 + del x1304 + x1305 = np.zeros((navir[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1305 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovoV, (0, 2, 3, 4), (1, 4, 3, 2)) + x1306 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1306 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1305, (2, 3, 4, 1), (2, 3, 0, 4)) + del x1305 + t3new_babbab += einsum(x1306, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 + x1307 = np.zeros((navir[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1307 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) + x1308 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1308 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1307, (2, 3, 4, 1), (2, 3, 0, 4)) + del x1307 + t3new_babbab += einsum(x1308, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 + x1309 = np.zeros((navir[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1309 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) + x1310 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1310 += einsum(x1309, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 7, 1), (6, 0, 5, 4, 2, 7)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1310, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 + del x1310 + x1311 = np.zeros((navir[1], nocc[1]), dtype=types[float]) + x1311 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovoV, (0, 1, 2, 3), (3, 2)) + x1312 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x1312 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1311, (2, 0), (1, 2)) + del x1311 + t3new_babbab += einsum(x1312, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + t3new_bbbbbb += einsum(x1312, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + del x1312 + x1313 = np.zeros((navir[1], nocc[1]), dtype=types[float]) + x1313 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovoV, (2, 1, 0, 3), (3, 2)) + x1314 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x1314 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1313, (2, 0), (1, 2)) + del x1313 + t3new_babbab += einsum(x1314, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + t3new_bbbbbb += einsum(x1314, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + del x1314 + x1315 = np.zeros((naocc[1], naocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1315 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) + x1316 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1316 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1315, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(x1316, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) + x1317 = np.zeros((naocc[1], naocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1317 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvO, (2, 1, 3, 4), (0, 4, 2, 3)) + x1318 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1318 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1317, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(x1318, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -1.0 + x1319 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1319 += einsum(x1317, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (0, 7, 5, 4, 2, 6)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1319, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 + del x1319 + x1320 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1320 += einsum(x1315, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (0, 7, 5, 4, 2, 6)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1320, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 + del x1320 + x1321 = np.zeros((naocc[1], nvir[1]), dtype=types[float]) + x1321 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvO, (0, 1, 2, 3), (3, 2)) + x1322 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x1322 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), x1321, (2, 1), (0, 2)) + del x1321 + t3new_babbab += einsum(x1322, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new_bbbbbb += einsum(x1322, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + del x1322 + x1323 = np.zeros((naocc[1], nvir[1]), dtype=types[float]) + x1323 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvO, (0, 2, 1, 3), (3, 2)) + x1324 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x1324 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), x1323, (2, 1), (0, 2)) + del x1323 + t3new_babbab += einsum(x1324, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 + t3new_bbbbbb += einsum(x1324, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 + del x1324 + x1325 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1]), dtype=types[float]) + x1325 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovOV, (2, 1, 3, 4), (0, 3, 4, 2)) + x1326 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1326 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1325, (2, 3, 4, 0), (2, 3, 1, 4)) + del x1325 + t3new_babbab += einsum(x1326, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 + t3new_bbbbbb += einsum(x1326, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 + del x1326 + x1327 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1]), dtype=types[float]) + x1327 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.oVvO, (2, 3, 1, 4), (0, 4, 3, 2)) + x1328 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1328 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1327, (2, 3, 4, 0), (2, 3, 1, 4)) + del x1327 + t3new_babbab += einsum(x1328, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 + t3new_bbbbbb += einsum(x1328, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 + del x1328 + x1329 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1329 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 2), (1, 3, 4, 5)) + t3new_bbbbbb += einsum(x1329, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 + x1330 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1330 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1329, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1330, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 + del x1330 + x1331 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1331 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 0, 5), (1, 3, 4, 5)) + t3new_bbbbbb += einsum(x1331, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 + x1332 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1332 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1331, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1332, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) + del x1332 + x1333 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1333 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x35, (4, 0, 5, 2), (1, 4, 5, 3)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1333, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x1333 + x1334 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1334 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 0, 5), (3, 4, 1, 5)) * -1.0 + x1335 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1335 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1334, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1335, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) + del x1335 + x1336 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1336 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x35, (4, 5, 0, 2), (1, 4, 5, 3)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1336, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) + del x1336 + x1337 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1337 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 2), (3, 4, 1, 5)) * -1.0 + x1338 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1338 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1337, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1338, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 + del x1338 + x1339 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1339 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1329, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) + del x1329 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1339, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x1339 + x1340 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1340 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1331, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) + del x1331 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1340, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) + del x1340 + x1341 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x1341 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 6, 2), (1, 3, 0, 4, 6, 5)) + x1342 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1342 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1341, (4, 5, 6, 7, 0, 2), (4, 5, 6, 7, 1, 3)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1342, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) + del x1342 + x1343 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1343 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1341, (4, 5, 6, 0, 7, 2), (4, 5, 6, 7, 1, 3)) + del x1341 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1343, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x1343 + x1344 = np.zeros((naocc[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1344 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 2), (1, 4, 5, 3)) * -1.0 + x1345 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1345 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1344, (4, 5, 2, 6), (4, 3, 0, 5, 1, 6)) * -1.0 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1345, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) + del x1345 + x1346 = np.zeros((naocc[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1346 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 0, 5), (1, 4, 5, 3)) * -1.0 + x1347 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1347 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1346, (4, 5, 2, 6), (4, 3, 0, 5, 1, 6)) * -1.0 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1347, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x1347 + x1348 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1348 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1334, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1348, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 + del x1348 + x1349 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1349 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1337, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1349, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) + del x1349 + x1350 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1350 += einsum(x11, (0, 1), t2.abab[np.ix_(soa,sOb,sva,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1350, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 + del x1350 + x1351 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1351 += einsum(x12, (0, 1), t2.abab[np.ix_(soa,sOb,sva,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1351, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) + del x1351 + x1352 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1352 += einsum(x11, (0, 1), t2.abab[np.ix_(soa,sob,sva,sVb)], (2, 3, 1, 4), (4, 2, 0, 3)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1352, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 + del x1352 + x1353 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1353 += einsum(x12, (0, 1), t2.abab[np.ix_(soa,sob,sva,sVb)], (2, 3, 1, 4), (4, 2, 0, 3)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1353, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) + del x1353 + x1354 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1354 += einsum(x11, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 1, 4), (3, 2, 0, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1354, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x1354 + x1355 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1355 += einsum(x12, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 1, 4), (3, 2, 0, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1355, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) + del x1355 + x1356 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1356 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x980, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1356, (4, 5, 6, 0, 7, 1), (7, 6, 4, 3, 2, 5)) * 2.0 + x1357 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1357 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 0, 2), (1, 3, 4, 5)) + t3new_bbbbbb += einsum(x1357, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 4.0 + x1358 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1358 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1357, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1358, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -2.0 + del x1358 + x1359 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1359 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x33, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1359, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 + del x1359 + x1360 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1360 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x33, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1360, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * 2.0 + del x1360 + x1361 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1361 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x980, (4, 5, 6, 7, 1, 2), (4, 5, 0, 6, 7, 3)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1361, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x1361 + x1362 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1362 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x176, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1362, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x1362 + x1363 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1363 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1357, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) + del x1357 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1363, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 + del x1363 + x1364 = np.zeros((navir[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1364 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 1, 5), (3, 0, 4, 5)) * -1.0 + x1365 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1365 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1364, (4, 5, 6, 3), (1, 4, 5, 6, 0, 2)) * -1.0 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1365, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x1365 + x1366 = np.zeros((naocc[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1366 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 + x1367 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1367 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1366, (4, 5, 2, 6), (4, 3, 0, 5, 1, 6)) * -1.0 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1367, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 + del x1367 + x1368 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1368 += einsum(x0, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1368, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 + x1369 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1369 += einsum(x0, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1369, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 + x1370 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1370 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x33, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1370, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + del x1370 + x1371 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1371 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 2), (3, 4, 0, 5)) * -1.0 + x1372 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1372 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1371, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1372, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * 2.0 + del x1372 + x1373 = np.zeros((naocc[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1373 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 5, 3), (1, 0, 4, 5)) * -1.0 + x1374 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1374 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1373, (2, 3, 0, 4), (2, 3, 4, 1)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1374, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + del x1374 + x1375 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1375 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1371, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1375, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 + del x1375 + x1376 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1376 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x934, (4, 5, 6, 7, 1, 3), (4, 5, 6, 7, 0, 2)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1376, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 + del x1376 + x1377 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1377 += einsum(x0, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1377, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1377 + x1378 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1378 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 5), (1, 3, 4, 5)) + x1379 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1379 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1378, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1379, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + x1380 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1380 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x934, (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 0, 6)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1380, (4, 5, 6, 0, 7, 1), (7, 6, 4, 3, 2, 5)) + x1381 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1381 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x13, (0, 4, 5, 2), (1, 4, 5, 3)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1381, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + x1382 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1382 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1364, (2, 3, 4, 1), (2, 3, 4, 0)) + del x1364 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1382, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) + del x1382 + x1383 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1383 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x13, (0, 4, 1, 5), (3, 4, 2, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1383, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) + del x1383 + x1384 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1384 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x176, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1384, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x1384 + x1385 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1385 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1378, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1385, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x1385 + x1386 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1386 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x934, (4, 5, 6, 0, 7, 3), (4, 5, 6, 1, 7, 2)) + del x934 + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1386, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x1386 + x1387 = np.zeros((naocc[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1387 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 4, 5, 3), (1, 5, 2, 4)) * -1.0 + x1388 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1388 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1387, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 + del x1387 + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1388, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x1388 + x1389 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1389 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1373, (2, 3, 4, 0), (2, 3, 4, 1)) + del x1373 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1389, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) + del x1389 + x1390 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1390 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 5), (3, 1, 4, 5)) * -1.0 + x1391 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1391 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1390, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1391, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x1391 + x1392 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1392 += einsum(x15, (0, 1), t2.abab[np.ix_(soa,sOb,sva,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1392, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 + del x1392 + x1393 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1393 += einsum(x15, (0, 1), t2.abab[np.ix_(soa,sob,sva,sVb)], (2, 3, 1, 4), (4, 2, 0, 3)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1393, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 + del x1393 + x1394 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1394 += einsum(x15, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 1, 4), (3, 2, 0, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1394, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x1394 + x1395 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1395 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x981, (4, 0, 5, 3), (1, 4, 2, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1395, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * -1.0 + del x1395 + x1396 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1396 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x981, (4, 5, 2, 3), (4, 0, 5, 1)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1396, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 + del x1396 + x1397 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1397 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x981, (4, 0, 2, 5), (1, 4, 3, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1397, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * -1.0 + x1398 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1398 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x981, (4, 5, 2, 3), (1, 4, 0, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1398, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 + del x1398 + x1399 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1399 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x981, (4, 0, 2, 5), (4, 1, 3, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1399, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 + x1400 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1400 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x981, (4, 0, 5, 3), (4, 1, 2, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1400, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 + del x1400 + x1401 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1401 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x982, (4, 0, 1, 5), (4, 3, 2, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1401, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * -1.0 + del x1401 + x1402 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1402 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x982, (4, 0, 5, 2), (4, 3, 1, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1402, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + x1403 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1403 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x982, (4, 5, 1, 2), (4, 0, 5, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1403, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x1403 + x1404 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1404 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x982, (4, 5, 1, 2), (4, 3, 0, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1404, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 + del x1404 + x1405 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1405 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x982, (4, 0, 5, 2), (4, 1, 5, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1405, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + x1406 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1406 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x982, (4, 0, 1, 5), (4, 2, 5, 3)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1406, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -1.0 + del x1406 + x1407 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1407 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 0, 2), (1, 3, 4, 5)) + x1408 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1408 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1407, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1408, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 + x1409 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1409 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 2, 0, 5), (1, 3, 4, 5)) + x1410 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1410 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1409, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1410, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 + x1411 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1411 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x16, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1411, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 + x1412 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1412 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x16, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1412, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 + x1413 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1413 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 6, 2), (1, 3, 0, 4, 6, 5)) + x1414 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1414 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1413, (4, 5, 6, 7, 1, 3), (4, 5, 0, 6, 7, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1414, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 + del x1414 + x1415 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1415 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1413, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 7, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1415, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 + del x1415 + x1416 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1416 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1407, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1416, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 + del x1416 + x1417 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1417 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1409, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1417, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 + del x1417 + x1418 = np.zeros((naocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1418 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 2, 5, 3), (1, 0, 4, 5)) * -1.0 + x1419 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1419 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1418, (2, 3, 4, 0), (2, 3, 4, 1)) + del x1418 + x1420 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1420 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1419, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) + t3new_babbab += einsum(x1420, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new_babbab += einsum(x1420, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x1420 + x1421 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1421 += einsum(x1, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1421, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 + x1422 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1422 += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1422, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 + x1423 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1423 += einsum(x1, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1423, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 + x1424 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1424 += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1424, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 + x1425 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1425 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x16, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 + x1426 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1426 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1425, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) + t3new_babbab += einsum(x1426, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new_babbab += einsum(x1426, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x1426 + x1427 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1427 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 2), (3, 0, 4, 5)) * -1.0 + x1428 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1428 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1427, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1428, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 + del x1428 + x1429 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1429 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 2, 1, 5), (3, 0, 4, 5)) * -1.0 + x1430 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1430 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1429, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1430, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 + del x1430 + x1431 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1431 += einsum(x1, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1431, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1431 + x1432 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1432 += einsum(x20, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1432, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + del x1432 + x1433 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1433 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x961, (4, 1, 5, 3), (4, 0, 2, 5)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1433, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 2.0 + del x1433 + x1434 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1434 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x961, (4, 5, 2, 3), (1, 4, 0, 5)) * -1.0 + x1435 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1435 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1434, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) * -1.0 + t3new_babbab += einsum(x1435, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new_babbab += einsum(x1435, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x1435 + x1436 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1436 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x961, (4, 1, 3, 5), (4, 0, 2, 5)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1436, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 + del x1436 + x1437 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1437 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x961, (4, 0, 3, 5), (1, 4, 2, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1437, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * 2.0 + x1438 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1438 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x961, (4, 0, 5, 3), (1, 4, 2, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1438, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * -2.0 + x1439 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1439 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x961, (4, 1, 3, 5), (4, 0, 2, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1439, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -2.0 + x1440 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1440 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x961, (4, 1, 5, 3), (4, 0, 2, 5)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1440, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 2.0 + x1441 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1441 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x975, (4, 5, 1, 3), (4, 0, 5, 2)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1441, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1441 + x1442 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1442 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 1, 5, 2), (4, 3, 0, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1442, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 + x1443 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1443 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x975, (4, 1, 5, 3), (4, 0, 5, 2)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1443, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + del x1443 + x1444 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1444 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 5, 1, 2), (4, 3, 0, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1444, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 + x1445 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1445 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 1, 0, 5), (4, 3, 2, 5)) + x1446 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1446 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1445, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) * -1.0 + t3new_babbab += einsum(x1446, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + t3new_babbab += einsum(x1446, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) + del x1446 + x1447 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1447 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x975, (4, 1, 5, 3), (4, 0, 5, 2)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1447, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 + x1448 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1448 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x975, (4, 5, 1, 3), (4, 0, 5, 2)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1448, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 + x1449 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1449 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x980, (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1449, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -4.0 + del x1449 + x1450 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1450 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x981, (4, 1, 3, 5), (4, 0, 2, 5)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1450, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -4.0 + del x1450 + x1451 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1451 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x982, (4, 1, 5, 3), (4, 0, 5, 2)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1451, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -4.0 + del x1451 + x1452 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1452 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x197, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1452, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x1452 + x1453 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1453 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1356, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x1356 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1453, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 + del x1453 + x1454 = np.zeros((navir[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1454 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x981, (2, 3, 1, 4), (2, 0, 3, 4)) + x1455 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1455 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1454, (4, 5, 6, 3), (1, 4, 5, 6, 0, 2)) * -1.0 + del x1454 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1455, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 + del x1455 + x1456 = np.zeros((naocc[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1456 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x982, (2, 3, 4, 1), (2, 0, 3, 4)) + x1457 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1457 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1456, (2, 3, 0, 4), (2, 3, 4, 1)) + t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1457, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1457 + x1458 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1458 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x197, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1458, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x1458 + x1459 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1459 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1380, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x1380 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1459, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) + del x1459 + x1460 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1460 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x981, (2, 3, 4, 1), (2, 3, 0, 4)) + del x981 + x1461 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1461 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1460, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1461, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 + del x1461 + x1462 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1462 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1460, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1462, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) + del x1462 + x1463 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1463 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1456, (2, 3, 4, 0), (2, 3, 4, 1)) + del x1456 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1463, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 + del x1463 + x1464 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1464 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x982, (4, 5, 6, 2), (4, 3, 0, 5, 1, 6)) * -1.0 + x1465 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1465 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1464, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x1464 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1465, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) + del x1465 + x1466 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1466 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.aabb.ovov, (4, 5, 0, 3), (2, 1, 4, 5)) + t3new_bbbbbb += einsum(x1466, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 + x1467 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1467 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1466, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1467, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) + del x1467 + x1468 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1468 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1466, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) + del x1466 + t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1468, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) + del x1468 + x1469 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1469 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x961, (2, 3, 1, 4), (2, 0, 3, 4)) + x1470 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1470 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1469, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1470, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x1470 + x1471 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1471 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x961, (2, 3, 4, 1), (2, 0, 3, 4)) + x1472 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1472 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1471, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1472, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x1472 + x1473 = np.zeros((naocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1473 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x975, (2, 3, 4, 1), (2, 0, 4, 3)) + x1474 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1474 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1473, (2, 3, 4, 0), (2, 3, 4, 1)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1474, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) + x1475 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1475 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1473, (2, 3, 0, 4), (2, 3, 4, 1)) + del x1473 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1475, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 + x1476 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1476 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ovov, (4, 3, 0, 5), (2, 1, 4, 5)) + x1477 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1477 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1476, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1477, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 + x1478 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1478 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ovov, (4, 5, 0, 3), (2, 1, 4, 5)) + x1479 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1479 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1478, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1479, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) + x1480 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1480 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1476, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1480, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 + del x1480 + x1481 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1481 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1478, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1481, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) + del x1481 + x1482 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1482 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 5, 6, 3), (0, 2, 4, 1, 5, 6)) + t3new_abaaba += einsum(x1482, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1482, (4, 5, 1, 6, 3, 7), (0, 6, 4, 2, 7, 5)) * 2.0 + x1483 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1483 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 4, 1, 6)) + t3new_abaaba += einsum(x1483, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1483, (4, 5, 1, 6, 3, 7), (0, 6, 4, 2, 7, 5)) * 4.0 + del x1483 + x1484 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1484 += einsum(f.aa.ov, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (4, 6, 0, 2, 3, 5)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1484, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 + del x1484 + x1485 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1485 += einsum(f.bb.ov, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 0, 3, 5)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1485, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 + del x1485 + x1486 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1486 += einsum(f.bb.ov, (0, 1), t2.abab[np.ix_(sOa,sob,sVa,svb)], (2, 3, 4, 1), (2, 4, 0, 3)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1486, (4, 5, 1, 6), (0, 6, 4, 2, 3, 5)) * -1.0 + del x1486 + x1487 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1487 += einsum(f.bb.ov, (0, 1), t2.abab[np.ix_(soa,sob,sVa,svb)], (2, 3, 4, 1), (4, 2, 0, 3)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1487, (4, 5, 1, 6), (5, 6, 0, 2, 3, 4)) + del x1487 + x1488 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1488 += einsum(f.bb.ov, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 4, 1), (2, 0, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1488, (4, 1, 5, 6), (0, 5, 4, 6, 3, 2)) + del x1488 + x1489 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1489 += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1489, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + del x1489 + x1490 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1490 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oOvV, (4, 5, 2, 6), (5, 6, 0, 4, 1, 3)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1490, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1490 + x1491 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1491 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oOoo, (0, 2, 3, 4), (2, 1, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1491, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) + del x1491 + x1492 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1492 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oOvv, (0, 2, 3, 4), (2, 1, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1492, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) * -1.0 + del x1492 + x1493 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1493 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vVoo, (1, 2, 3, 4), (0, 2, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1493, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 + del x1493 + x1494 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1494 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vVvv, (1, 2, 3, 4), (0, 2, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1494, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) + del x1494 + x1495 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1495 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.oOoo, (0, 2, 3, 4), (2, 3, 4, 1)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1495, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 + del x1495 + x1496 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1496 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oOvv, (4, 5, 6, 3), (5, 2, 0, 4, 1, 6)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1496, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1496 + x1497 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1497 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vvoo, (2, 1, 3, 4), (0, 3, 4, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1497, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) + del x1497 + x1498 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1498 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vvvv, (2, 1, 3, 4), (0, 2, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1498, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -1.0 + del x1498 + x1499 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1499 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oovV, (4, 5, 2, 6), (0, 6, 4, 5, 1, 3)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1499, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x1499 + x1500 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1500 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovoV, (4, 2, 5, 6), (0, 6, 5, 4, 1, 3)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1500, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1500 + x1501 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1501 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oooo, (2, 0, 3, 4), (1, 2, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1501, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 + del x1501 + x1502 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1502 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oovv, (2, 0, 3, 4), (1, 2, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1502, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) + del x1502 + x1503 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1503 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vVoo, (1, 2, 3, 4), (2, 0, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1503, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) + del x1503 + x1504 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1504 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vVvv, (1, 2, 3, 4), (2, 0, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1504, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -1.0 + del x1504 + x1505 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1505 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oooo, (4, 5, 6, 1), (0, 2, 4, 5, 6, 3)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1505, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1505 + x1506 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1506 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oovv, (4, 5, 6, 3), (0, 2, 4, 5, 1, 6)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1506, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x1506 + x1507 = np.zeros((naocc[0], navir[0], nocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1507 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vvvv, (4, 5, 6, 3), (0, 2, 1, 4, 5, 6)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1507, (2, 3, 4, 1, 5, 6), (0, 4, 2, 5, 6, 3)) + del x1507 + x1508 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1508 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1508, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x1508 + x1509 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1509 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vOov, (2, 3, 4, 1), (3, 0, 4, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1509, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) + del x1509 + x1510 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1510 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vOov, (4, 5, 6, 3), (5, 2, 0, 1, 6, 4)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1510, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x1510 + x1511 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1511 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oVov, (2, 3, 4, 1), (3, 2, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1511, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) + del x1511 + x1512 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1512 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oVov, (4, 5, 6, 3), (0, 5, 4, 1, 6, 2)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1512, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x1512 + x1513 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1513 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 6, 3), (0, 2, 4, 1, 6, 5)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1513, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + x1514 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1514 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oOvv, (2, 3, 4, 1), (3, 2, 0, 4)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1514, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + del x1514 + x1515 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1515 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oOoo, (2, 3, 4, 0), (3, 2, 4, 1)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1515, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1515 + x1516 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1516 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.oooo, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1516, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1516 + x1517 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1517 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.vvvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1517, (2, 3, 4, 5, 1, 6), (4, 0, 2, 5, 6, 3)) * 2.0 + del x1517 + x1518 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1518 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.vvoo, (4, 2, 5, 6), (1, 3, 0, 5, 6, 4)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1518, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 + del x1518 + x1519 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1519 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vVvv, (2, 3, 4, 1), (3, 0, 2, 4)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1519, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 + del x1519 + x1520 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1520 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.vVoo, (3, 4, 5, 6), (1, 4, 0, 5, 6, 2)) * -1.0 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1520, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1520 + x1521 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1521 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 1, 4, 6)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1521, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 + del x1521 + x1522 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1522 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 3, 6, 7), (5, 7, 0, 2, 4, 6)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1522, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 + del x1522 + x1523 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1523 += einsum(v.aaaa.ovOO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 3, 1, 6, 7), (2, 7, 4, 0, 5, 6)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1523, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 + del x1523 + x1524 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1524 += einsum(v.aaaa.oOvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 3, 2, 6, 7), (1, 7, 4, 0, 5, 6)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1524, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 + del x1524 + x1525 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1525 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 1, 6, 7), (5, 7, 4, 0, 2, 6)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1525, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 + del x1525 + x1526 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1526 += einsum(v.aabb.ovvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 0, 5, 2)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1526, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 + del x1526 + x1527 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1527 += einsum(v.aaaa.ovVV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 1, 7, 3), (6, 2, 4, 0, 5, 7)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1527, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 + del x1527 + x1528 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1528 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oVoo, (0, 2, 3, 4), (1, 2, 3, 4)) + t3new_abaaba += einsum(x1528, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 + del x1528 + x1529 = np.zeros((navir[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1529 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oVvv, (0, 2, 3, 4), (1, 2, 3, 4)) + t3new_abaaba += einsum(x1529, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -2.0 + del x1529 + x1530 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1530 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vOoo, (1, 2, 3, 4), (0, 2, 3, 4)) + t3new_abaaba += einsum(x1530, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 + del x1530 + x1531 = np.zeros((naocc[0], naocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1531 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vOvv, (1, 2, 3, 4), (0, 2, 3, 4)) + t3new_abaaba += einsum(x1531, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 + del x1531 + x1532 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1532 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oOOV, (0, 2, 3, 4), (2, 3, 1, 4)) + t3new_abaaba += einsum(x1532, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * -2.0 + del x1532 + x1533 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1533 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vVOV, (1, 2, 3, 4), (0, 3, 2, 4)) + t3new_abaaba += einsum(x1533, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * 2.0 + del x1533 + x1534 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=types[float]) + x1534 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.oOOV, (0, 2, 3, 4), (2, 3, 4, 1)) + t3new_abaaba += einsum(x1534, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * 2.0 + del x1534 + x1535 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=types[float]) + x1535 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vvOV, (2, 1, 3, 4), (0, 3, 4, 2)) + t3new_abaaba += einsum(x1535, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -2.0 + del x1535 + x1536 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=types[float]) + x1536 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ooOV, (2, 0, 3, 4), (3, 1, 4, 2)) + t3new_abaaba += einsum(x1536, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * 2.0 + del x1536 + x1537 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=types[float]) + x1537 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vVOV, (1, 2, 3, 4), (3, 2, 4, 0)) + t3new_abaaba += einsum(x1537, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -2.0 + del x1537 + x1538 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1538 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ooOV, (2, 0, 3, 4), (3, 4, 2, 1)) + t3new_abaaba += einsum(x1538, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 + del x1538 + x1539 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1539 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vvOV, (2, 1, 3, 4), (3, 4, 0, 2)) + t3new_abaaba += einsum(x1539, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 + del x1539 + x1540 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1540 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1540, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1540 + x1541 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1541 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1541, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 + del x1541 + x1542 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1542 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1542, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1542 + x1543 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1543 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OOov, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(x1543, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 + del x1543 + x1544 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1544 += einsum(v.aabb.OOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1544, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1544 + x1545 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1545 += einsum(v.aabb.vvov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 2, 0)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1545, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 + del x1545 + x1546 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1546 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.VVov, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(x1546, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 + del x1546 + x1547 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1547 += einsum(v.aabb.VVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1547, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 + del x1547 + x1548 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1548 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 3, 6)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1548, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -6.0 + del x1548 + x1549 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1549 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oOov, (0, 4, 1, 5), (4, 2, 3, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1549, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) + del x1549 + x1550 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1550 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oOov, (0, 4, 5, 3), (4, 2, 1, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1550, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) + del x1550 + x1551 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1551 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oOov, (0, 4, 5, 3), (4, 1, 5, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1551, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 + del x1551 + x1552 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1552 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oOov, (0, 4, 1, 5), (4, 2, 3, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1552, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -1.0 + del x1552 + x1553 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1553 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (2, 4, 5, 3), (4, 0, 1, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1553, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) + del x1553 + x1554 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1554 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (2, 4, 5, 3), (0, 4, 1, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1554, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 + del x1554 + x1555 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1555 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (2, 4, 1, 5), (4, 0, 3, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1555, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) + del x1555 + x1556 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1556 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (2, 4, 1, 5), (0, 4, 3, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1556, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) * -1.0 + del x1556 + x1557 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1557 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 3), (0, 2, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1557, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 + del x1557 + x1558 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1558 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 3), (0, 2, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1558, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) + del x1558 + x1559 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1559 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 6, 3), (0, 2, 4, 5, 1, 6)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1559, (4, 5, 0, 6, 7, 1), (6, 7, 4, 2, 3, 5)) + x1560 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1560 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 4, 5, 3), (0, 2, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1560, (4, 5, 3, 6), (0, 1, 4, 2, 6, 5)) * -1.0 + del x1560 + x1561 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1561 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 3, 4, 5), (0, 2, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1561, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) + del x1561 + x1562 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1562 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 5, 6, 3), (0, 2, 1, 4, 5, 6)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1562, (4, 5, 6, 1, 3, 7), (0, 6, 4, 2, 7, 5)) + del x1562 + x1563 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1563 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 3, 5, 6), (0, 2, 1, 4, 5, 6)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1563, (4, 5, 6, 1, 3, 7), (0, 6, 4, 2, 7, 5)) * -1.0 + del x1563 + x1564 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1564 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 6, 3), (0, 2, 1, 6, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1564, (4, 5, 6, 1, 7, 2), (0, 6, 4, 7, 3, 5)) * -1.0 + x1565 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1565 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x490, (4, 5, 6, 2), (4, 5, 0, 1, 6, 3)) + del x490 + t3new_abaaba += einsum(x1565, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new_abaaba += einsum(x1565, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x1565 + x1566 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1566 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovoO, (0, 2, 4, 5), (5, 4, 1, 3)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1566, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + del x1566 + x1567 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1567 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovoO, (4, 2, 0, 5), (5, 4, 1, 3)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1567, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1567 + x1568 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1568 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 5), (1, 3, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1568, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -2.0 + del x1568 + x1569 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1569 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovoo, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1569, (4, 5, 6, 0, 7, 1), (6, 7, 4, 2, 3, 5)) * 2.0 + x1570 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1570 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x514, (4, 5, 6, 0), (4, 5, 6, 1, 2, 3)) + del x514 + t3new_abaaba += einsum(x1570, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new_abaaba += einsum(x1570, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x1570 + x1571 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1571 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovvV, (0, 2, 4, 5), (5, 1, 4, 3)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1571, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 + del x1571 + x1572 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1572 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovvV, (0, 4, 2, 5), (5, 1, 4, 3)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1572, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 + del x1572 + x1573 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1573 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1573, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) * 2.0 + del x1573 + x1574 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1574 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1574, (4, 5, 6, 0, 7, 3), (6, 1, 4, 2, 7, 5)) * -2.0 + x1575 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1575 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1575, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) + del x1575 + x1576 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1576 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 3), (2, 0, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1576, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 + del x1576 + x1577 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1577 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1577, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 + del x1577 + x1578 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1578 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 3), (2, 0, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1578, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) + del x1578 + x1579 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1579 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 5, 3), (2, 4, 1, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1579, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 + del x1579 + x1580 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1580 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 1, 5), (2, 4, 3, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1580, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -1.0 + del x1580 + x1581 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1581 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 4, 5, 3), (0, 2, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1581, (4, 5, 3, 6), (0, 1, 4, 5, 6, 2)) + del x1581 + x1582 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1582 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 3, 4, 5), (0, 2, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1582, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -1.0 + del x1582 + x1583 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1583 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 3, 4, 5), (2, 0, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1583, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -1.0 + del x1583 + x1584 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1584 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 4, 5, 3), (2, 0, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1584, (4, 5, 3, 6), (5, 1, 0, 2, 6, 4)) + del x1584 + x1585 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1585 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 1, 5), (0, 4, 3, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1585, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) + del x1585 + x1586 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1586 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 5, 3), (0, 1, 5, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1586, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) + del x1586 + x1587 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1587 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovoo, (0, 3, 4, 5), (1, 4, 5, 2)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1587, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * 2.0 + del x1587 + x1588 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1588 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 4, 5, 1), (2, 5, 4, 3)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1588, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 + del x1588 + x1589 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1589 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovvv, (0, 3, 4, 5), (1, 2, 4, 5)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1589, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -2.0 + del x1589 + x1590 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1590 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x532, (4, 5, 0, 6), (4, 2, 5, 1, 6, 3)) + del x532 + t3new_abaaba += einsum(x1590, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new_abaaba += einsum(x1590, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x1590 + x1591 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1591 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 4, 5, 3), (2, 1, 4, 5)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1591, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 + del x1591 + x1592 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1592 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x510, (4, 5, 6, 2), (0, 4, 5, 1, 6, 3)) + del x510 + t3new_abaaba += einsum(x1592, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new_abaaba += einsum(x1592, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x1592 + x1593 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1593 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovoo, (1, 2, 4, 5), (3, 0, 4, 5)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1593, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * 2.0 + del x1593 + x1594 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1594 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 2, 5, 1), (0, 4, 5, 3)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1594, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1594 + x1595 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1595 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 2, 5, 3), (0, 4, 1, 5)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1595, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + del x1595 + x1596 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1596 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovvv, (1, 2, 4, 5), (3, 0, 4, 5)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1596, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -2.0 + del x1596 + x1597 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1597 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.aabb.oOov, (4, 5, 1, 3), (5, 4, 0, 2)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1597, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -4.0 + del x1597 + x1598 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1598 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.aabb.vVov, (4, 5, 1, 3), (5, 0, 4, 2)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1598, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 4.0 + del x1598 + x1599 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1599 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 2, 4, 1, 5, 6), (4, 6, 5, 3)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1599, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) * -2.0 + del x1599 + x1600 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1600 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 5, 1, 3, 6), (5, 6, 4, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1600, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -2.0 + del x1600 + x1601 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1601 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 5, 6, 3, 7), (5, 7, 4, 2, 6, 1)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1601, (4, 5, 6, 1, 7, 2), (0, 6, 4, 7, 3, 5)) * 2.0 + del x1601 + x1602 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1602 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 5, 1, 6, 7), (5, 7, 4, 2, 6, 3)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1602, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * 2.0 + del x1602 + x1603 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1603 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1603, (4, 5, 6, 0, 7, 3), (6, 1, 4, 2, 7, 5)) * 2.0 + del x1603 + x1604 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1604 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 0, 5, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1604, (4, 5, 6, 0, 7, 1), (6, 7, 4, 2, 3, 5)) * 2.0 + x1605 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1605 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 3, 6), (6, 5, 0, 1, 4, 2)) + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (0, 1, 2, 3, 4, 5), x1605, (2, 5, 6, 7, 0, 8), (6, 7, 1, 8, 3, 4)) + del x1605 + x1606 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1606 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 2, 1, 6, 3), (5, 6, 4, 0)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1606, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -2.0 + del x1606 + x1607 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1607 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (1, 3, 4, 5), (4, 5, 0, 2)) + t3new_abaaba += einsum(x1607, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 + del x1607 + x1608 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1608 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (1, 4, 3, 5), (5, 4, 0, 2)) + t3new_abaaba += einsum(x1608, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 + del x1608 + x1609 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1609 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x583, (4, 5, 6, 2), (4, 5, 0, 1, 6, 3)) + del x583 + t3new_abaaba += einsum(x1609, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -3.0 + t3new_abaaba += einsum(x1609, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -3.0 + del x1609 + x1610 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1610 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 2, 4, 5, 6, 1), (4, 5, 6, 3)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1610, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -2.0 + del x1610 + x1611 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1611 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 5, 6, 3, 1), (5, 4, 2, 6)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1611, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -2.0 + del x1611 + x1612 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1612 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oVov, (0, 4, 5, 3), (2, 4, 1, 5)) + t3new_abaaba += einsum(x1612, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 + del x1612 + x1613 = np.zeros((navir[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1613 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oVov, (0, 4, 1, 5), (2, 4, 3, 5)) + t3new_abaaba += einsum(x1613, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * 2.0 + del x1613 + x1614 = np.zeros((naocc[1], navir[0], navir[1], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1614 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (5, 2, 6, 0, 1, 4)) + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1614, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) + del x1614 + x1615 = np.zeros((naocc[1], navir[0], navir[1], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1615 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 3, 6), (6, 2, 5, 0, 1, 4)) + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1615, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) * -1.0 + del x1615 + x1616 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1616 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1616, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -2.0 + del x1616 + x1617 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=types[float]) + x1617 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (1, 3, 4, 5), (4, 2, 5, 0)) + t3new_abaaba += einsum(x1617, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -2.0 + del x1617 + x1618 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=types[float]) + x1618 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (1, 4, 3, 5), (5, 2, 4, 0)) + t3new_abaaba += einsum(x1618, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * 2.0 + del x1618 + x1619 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1619 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vOov, (2, 4, 5, 3), (0, 4, 1, 5)) + t3new_abaaba += einsum(x1619, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 + del x1619 + x1620 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1620 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 1, 0, 5, 6), (6, 4, 5, 3)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1620, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -2.0 + del x1620 + x1621 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1621 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 0, 3, 6), (6, 4, 5, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1621, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -2.0 + del x1621 + x1622 = np.zeros((naocc[0], naocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1622 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vOov, (2, 4, 1, 5), (0, 4, 3, 5)) + t3new_abaaba += einsum(x1622, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * 2.0 + del x1622 + x1623 = np.zeros((naocc[0], naocc[1], navir[1], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1623 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (0, 5, 6, 1, 4, 2)) + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (0, 1, 2, 3, 4, 5), x1623, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) + del x1623 + x1624 = np.zeros((naocc[0], naocc[1], navir[1], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1624 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 3, 6), (0, 6, 5, 1, 4, 2)) + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (0, 1, 2, 3, 4, 5), x1624, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * -1.0 + del x1624 + x1625 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1625 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 2, 1, 6, 3), (6, 5, 4, 0)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1625, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -2.0 + del x1625 + x1626 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=types[float]) + x1626 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (1, 3, 4, 5), (0, 4, 5, 2)) + t3new_abaaba += einsum(x1626, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -2.0 + del x1626 + x1627 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=types[float]) + x1627 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (1, 4, 3, 5), (0, 5, 4, 2)) + t3new_abaaba += einsum(x1627, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * 2.0 + del x1627 + x1628 = np.zeros((naocc[0], naocc[0], navir[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1628 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 6, 3), (0, 4, 2, 5, 1, 6)) + t3new_abaaba += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1628, (6, 2, 7, 5, 8, 1), (0, 8, 6, 3, 4, 7)) * -2.0 + del x1628 + x1629 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1629 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (0, 5, 2, 6, 1, 4)) + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1629, (6, 2, 7, 5, 8, 0), (1, 8, 6, 4, 3, 7)) * -1.0 + del x1629 + x1630 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1630 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 3, 6), (0, 6, 2, 5, 1, 4)) + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1630, (6, 2, 7, 5, 8, 0), (1, 8, 6, 4, 3, 7)) + del x1630 + x1631 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1631 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (1, 3, 4, 5), (0, 4, 2, 5)) + t3new_abaaba += einsum(x1631, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * 2.0 + del x1631 + x1632 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1632 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (1, 4, 3, 5), (0, 5, 2, 4)) + t3new_abaaba += einsum(x1632, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * -2.0 + del x1632 + x1633 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1633 += einsum(x37, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 + del x37 + t3new_abaaba += einsum(x1633, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_abaaba += einsum(x1633, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + del x1633 + x1634 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1634 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 1, 6, 7), (5, 7, 0, 4, 3, 6)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1634, (4, 5, 1, 6, 3, 7), (0, 6, 4, 2, 7, 5)) * -4.0 + del x1634 + x1635 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1635 += einsum(x18, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) * -1.0 + t3new_abaaba += einsum(x1635, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_abaaba += einsum(x1635, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + del x1635 + x1636 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1636 += einsum(x111, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) * -1.0 + del x111 + t3new_abaaba += einsum(x1636, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_abaaba += einsum(x1636, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + del x1636 + x1637 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1637 += einsum(x183, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) * -1.0 + t3new_abaaba += einsum(x1637, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_abaaba += einsum(x1637, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + del x1637 + x1638 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1638 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 1, 6, 3), (5, 0, 4, 6)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1638, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 4.0 + del x1638 + x1639 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1639 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 3, 2, 5, 6), (6, 4, 1, 5)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1639, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 + del x1639 + x1640 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1640 += einsum(x608, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + del x608 + t3new_abaaba += einsum(x1640, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new_abaaba += einsum(x1640, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x1640 + x1641 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1641 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 3, 1, 5, 6), (6, 4, 2, 5)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1641, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 + del x1641 + x1642 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1642 += einsum(x615, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) + del x615 + t3new_abaaba += einsum(x1642, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_abaaba += einsum(x1642, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x1642 + x1643 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1643 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1643, (6, 2, 7, 5, 8, 1), (8, 0, 6, 4, 3, 7)) * -4.0 + del x1643 + x1644 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1644 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) + t3new_abaaba += einsum(x1644, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * 4.0 + del x1644 + x1645 = np.zeros((naocc[0], naocc[1], navir[1], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x1645 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovOV, (4, 3, 5, 6), (1, 5, 6, 0, 4, 2)) * -1.0 + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (0, 1, 2, 3, 4, 5), x1645, (6, 2, 5, 7, 1, 8), (7, 0, 6, 8, 3, 4)) * 4.0 + del x1645 + x1646 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=types[float]) + x1646 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovOV, (0, 3, 4, 5), (1, 4, 5, 2)) * -1.0 + t3new_abaaba += einsum(x1646, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -4.0 + del x1646 + x1647 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1647 += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 2, 6, 1, 3), (5, 0, 4, 6)) * -1.0 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1647, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 4.0 + del x1647 + x1648 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=types[float]) + x1648 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovOV, (1, 2, 4, 5), (4, 3, 5, 0)) * -1.0 + t3new_abaaba += einsum(x1648, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -4.0 + del x1648 + x1649 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1649 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aabb.ovOV, (1, 3, 4, 5), (4, 5, 0, 2)) + t3new_abaaba += einsum(x1649, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 4.0 + del x1649 + x1650 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1650 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x656, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) + del x656 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1650, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1650 + x1651 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1651 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x653, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) + del x653 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1651, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x1651 + x1652 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1652 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x686, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) + del x686 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1652, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1652 + x1653 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1653 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x683, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) + del x683 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1653, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x1653 + x1654 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1654 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aabb.ovoo, (0, 3, 4, 5), (2, 1, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1654, (4, 5, 1, 6), (0, 6, 4, 2, 3, 5)) + del x1654 + x1655 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1655 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aabb.ovvv, (0, 3, 4, 5), (2, 1, 4, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1655, (4, 5, 3, 6), (0, 1, 4, 2, 6, 5)) * -1.0 + del x1655 + x1656 = np.zeros((naocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1656 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.ovoo, (2, 1, 3, 4), (0, 2, 3, 4)) + x1657 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1657 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1656, (2, 0, 3, 4), (2, 4, 3, 1)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1657, (4, 1, 5, 6), (0, 5, 4, 6, 3, 2)) * -1.0 + del x1657 + x1658 = np.zeros((naocc[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1658 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) + x1659 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1659 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1658, (4, 5, 6, 3), (4, 2, 0, 5, 1, 6)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1659, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1659 + x1660 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1660 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x640, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) + del x640 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1660, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x1660 + x1661 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1661 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x646, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) + del x646 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1661, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1661 + x1662 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1662 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x666, (4, 5, 6, 2), (0, 4, 6, 5, 1, 3)) + del x666 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1662, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1662 + x1663 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1663 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x663, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) + del x663 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1663, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x1663 + x1664 = np.zeros((navir[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1664 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ovoo, (0, 2, 3, 4), (1, 3, 4, 2)) + x1665 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1665 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1664, (2, 3, 4, 1), (2, 0, 4, 3)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1665, (4, 5, 1, 6), (5, 6, 0, 2, 3, 4)) * -1.0 + del x1665 + x1666 = np.zeros((navir[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1666 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ovvv, (0, 2, 3, 4), (1, 2, 3, 4)) + x1667 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1667 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1666, (2, 1, 3, 4), (2, 0, 4, 3)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1667, (4, 5, 3, 6), (5, 1, 0, 2, 6, 4)) + del x1667 + x1668 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1668 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x151, (4, 5, 6, 1), (0, 2, 4, 5, 6, 3)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1668, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1668 + x1669 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1669 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1482, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) + del x1482 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1669, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x1669 + x1670 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1670 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x403, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1670, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) + del x1670 + x1671 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1671 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x403, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x403 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1671, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x1671 + x1672 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1672 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x409, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1672, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 + del x1672 + x1673 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1673 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x409, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x409 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1673, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x1673 + x1674 = np.zeros((naocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1674 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oOov, (2, 3, 4, 1), (3, 2, 0, 4)) + x1675 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1675 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1674, (2, 0, 3, 4), (2, 3, 4, 1)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1675, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 + del x1675 + x1676 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1676 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oOov, (4, 5, 6, 3), (5, 2, 0, 4, 1, 6)) + x1677 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1677 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1676, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x1676 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1677, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x1677 + x1678 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1678 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x407, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1678, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) + del x1678 + x1679 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1679 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x407, (4, 5, 6, 3), (4, 2, 0, 1, 5, 6)) + del x407 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1679, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x1679 + x1680 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1680 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x401, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1680, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 + del x1680 + x1681 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1681 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x401, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) + del x401 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1681, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x1681 + x1682 = np.zeros((navir[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1682 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vVov, (2, 3, 4, 1), (3, 0, 4, 2)) + x1683 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1683 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1682, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1683, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) + del x1683 + x1684 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1684 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x405, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) + del x405 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1684, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x1684 + x1685 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1685 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x156, (4, 5, 6, 1), (0, 2, 5, 4, 6, 3)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1685, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1685 + x1686 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1686 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1559, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x1559 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1686, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1686 + x1687 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1687 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1564, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) + del x1564 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1687, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x1687 + x1688 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1688 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x151, (4, 0, 5, 6), (1, 3, 4, 6, 5, 2)) + del x151 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1688, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1688 + x1689 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1689 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1574, (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 0, 6)) + del x1574 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1689, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 + del x1689 + x1690 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1690 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1569, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x1569 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1690, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 + del x1690 + x1691 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1691 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1666, (2, 3, 4, 1), (2, 0, 3, 4)) + del x1666 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1691, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 + del x1691 + x1692 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1692 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1664, (4, 5, 6, 3), (1, 4, 0, 6, 5, 2)) * -1.0 + del x1664 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1692, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 + del x1692 + x1693 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1693 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1658, (2, 3, 4, 1), (2, 3, 0, 4)) + del x1658 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1693, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + del x1693 + x1694 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1694 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1656, (2, 3, 4, 0), (2, 3, 4, 1)) + del x1656 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1694, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1694 + x1695 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1695 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1674, (2, 3, 4, 0), (2, 3, 4, 1)) + del x1674 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1695, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1695 + x1696 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1696 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x156, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) + del x156 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1696, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1696 + x1697 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1697 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x462, (2, 3, 4, 5, 6, 1), (2, 3, 4, 0, 5, 6)) + del x462 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1697, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 + del x1697 + x1698 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1698 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1682, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + del x1682 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1698, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1698 + x1699 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1699 += einsum(x35, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 3, 6, 7), (5, 7, 0, 2, 4, 6)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1699, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 + del x1699 + x1700 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1700 += einsum(x35, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 1, 4, 6)) + del x35 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1700, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 + del x1700 + x1701 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1701 += einsum(x11, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 0, 3, 5)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1701, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 + del x1701 + x1702 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1702 += einsum(x12, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 0, 3, 5)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1702, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 + del x1702 + x1703 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1703 += einsum(x738, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 3, 7, 1), (6, 0, 4, 2, 5, 7)) + del x738 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1703, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 + del x1703 + x1704 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1704 += einsum(x748, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 2, 5, 6)) + del x748 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1704, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 + del x1704 + x1705 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1705 += einsum(x745, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 2, 5, 6)) + del x745 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1705, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 + del x1705 + x1706 = np.zeros((naocc[0], naocc[1], navir[1], nocc[0]), dtype=types[float]) + x1706 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.ovOV, (2, 1, 3, 4), (0, 3, 4, 2)) + x1707 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1707 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x1706, (2, 3, 4, 0), (2, 3, 1, 4)) + t3new_abaaba += einsum(x1707, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * -2.0 + del x1707 + x1708 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=types[float]) + x1708 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1706, (2, 3, 4, 0), (2, 3, 4, 1)) + del x1706 + t3new_abaaba += einsum(x1708, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * 2.0 + del x1708 + x1709 = np.zeros((naocc[1], navir[0], navir[1], nvir[0]), dtype=types[float]) + x1709 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ovOV, (0, 2, 3, 4), (3, 1, 4, 2)) + x1710 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=types[float]) + x1710 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1709, (2, 3, 4, 1), (2, 3, 4, 0)) + del x1709 + t3new_abaaba += einsum(x1710, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * 2.0 + del x1710 + x1711 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1711 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x166, (2, 3, 4, 0), (2, 3, 4, 1)) + del x166 + t3new_abaaba += einsum(x1711, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 + del x1711 + x1712 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1712 += einsum(x33, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1712, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1712 + x1713 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1713 += einsum(x13, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1713, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 + del x1713 + x1714 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1714 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1604, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x1604 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1714, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 + del x1714 + x1715 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1715 += einsum(x15, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 0, 3, 5)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1715, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 + del x1715 + x1716 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1716 += einsum(x0, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1716, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 + del x1716 + x1717 = np.zeros((navir[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x1717 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oVov, (0, 2, 3, 4), (1, 2, 3, 4)) + x1718 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1718 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1717, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(x1718, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 + del x1718 + x1719 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1719 += einsum(x1717, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + del x1717 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1719, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1719 + x1720 = np.zeros((naocc[0], naocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1720 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vOov, (1, 2, 3, 4), (0, 2, 3, 4)) + x1721 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1721 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1720, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(x1721, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 + del x1721 + x1722 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1722 += einsum(x1720, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + del x1720 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1722, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1722 + x1723 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1723 += einsum(x16, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1723, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 + del x1723 + x1724 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1724 += einsum(x16, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1724, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1724 + x1725 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1725 += einsum(x1, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1725, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 + del x1725 + x1726 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1726 += einsum(x20, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1726, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1726 + x1727 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1727 += einsum(x13, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 5, 6, 3, 7), (5, 7, 4, 1, 2, 6)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1727, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -6.0 + del x1727 + x1728 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1728 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x716, (4, 0, 1, 5), (4, 2, 3, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1728, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) + del x1728 + x1729 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1729 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x716, (4, 0, 5, 3), (4, 2, 1, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1729, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) + del x1729 + x1730 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1730 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x716, (4, 0, 5, 3), (4, 1, 5, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1730, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 + del x1730 + x1731 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1731 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x716, (4, 0, 1, 5), (4, 2, 3, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1731, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -1.0 + del x1731 + x1732 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1732 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 5, 2, 3), (4, 0, 1, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1732, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 + del x1732 + x1733 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1733 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 1, 2, 5), (0, 4, 3, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1733, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) + del x1733 + x1734 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1734 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 5, 2, 3), (0, 4, 1, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1734, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) + del x1734 + x1735 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1735 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 1, 2, 5), (4, 0, 3, 5)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1735, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -1.0 + del x1735 + x1736 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1736 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1513, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1736, (4, 5, 6, 0, 7, 1), (6, 7, 4, 2, 3, 5)) + x1737 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1737 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x792, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) + del x792 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1737, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x1737 + x1738 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1738 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x176, (4, 5, 6, 1), (0, 2, 4, 5, 6, 3)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1738, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1738 + x1739 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1739 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1513, (4, 5, 6, 7, 1, 2), (4, 5, 0, 6, 7, 3)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1739, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1739 + x1740 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1740 += einsum(x0, (0, 1), t2.abab[np.ix_(sOa,sob,sVa,svb)], (2, 3, 4, 1), (2, 4, 3, 0)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1740, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 + del x1740 + x1741 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1741 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x798, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) + del x798 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1741, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 + del x1741 + x1742 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1742 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x802, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) + del x802 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1742, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 + del x1742 + x1743 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1743 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x361, (4, 5, 6, 7, 0, 2), (4, 5, 6, 7, 1, 3)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1743, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 + del x1743 + x1744 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1744 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x361, (4, 5, 6, 0, 7, 2), (4, 5, 6, 7, 1, 3)) + del x361 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1744, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 + del x1744 + x1745 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1745 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x856, (4, 5, 6, 0), (4, 5, 6, 1, 2, 3)) * -1.0 + del x856 + t3new_abaaba += einsum(x1745, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new_abaaba += einsum(x1745, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x1745 + x1746 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1746 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x375, (4, 0, 5, 2), (4, 1, 5, 3)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1746, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 + del x1746 + x1747 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1747 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x375, (4, 0, 2, 5), (4, 1, 5, 3)) + del x375 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1747, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 + del x1747 + x1748 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1748 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x874, (4, 5, 6, 2), (4, 5, 0, 1, 6, 3)) * -1.0 + del x874 + t3new_abaaba += einsum(x1748, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + t3new_abaaba += einsum(x1748, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) + del x1748 + x1749 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1749 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x389, (4, 5, 0, 2), (4, 5, 1, 3)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1749, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1749 + x1750 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1750 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x389, (4, 0, 5, 2), (4, 5, 1, 3)) + del x389 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1750, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + del x1750 + x1751 = np.zeros((navir[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1751 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 4, 5, 3), (2, 1, 5, 4)) + x1752 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1752 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1751, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1752, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 + del x1752 + x1753 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1753 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x33, (4, 0, 1, 5), (2, 4, 3, 5)) + del x33 + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1753, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -1.0 + del x1753 + x1754 = np.zeros((naocc[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1754 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 1, 5), (0, 4, 3, 5)) + x1755 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1755 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1754, (4, 5, 6, 3), (4, 2, 0, 5, 1, 6)) + del x1754 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1755, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x1755 + x1756 = np.zeros((naocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1756 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 5, 3), (0, 4, 1, 5)) + x1757 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1757 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1756, (2, 0, 3, 4), (2, 3, 4, 1)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1757, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 + del x1757 + x1758 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1758 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x778, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) + del x778 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1758, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1758 + x1759 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1759 += einsum(x0, (0, 1), t2.abab[np.ix_(soa,sob,sVa,svb)], (2, 3, 4, 1), (4, 2, 3, 0)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1759, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) + del x1759 + x1760 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1760 += einsum(x0, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1760, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) + del x1760 + x1761 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1761 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x830, (4, 5, 0, 6), (4, 2, 5, 1, 6, 3)) * -1.0 + del x830 + t3new_abaaba += einsum(x1761, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new_abaaba += einsum(x1761, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x1761 + x1762 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1762 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x817, (4, 5, 6, 2), (0, 4, 5, 1, 6, 3)) * -1.0 + del x817 + t3new_abaaba += einsum(x1762, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + t3new_abaaba += einsum(x1762, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 + del x1762 + x1763 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1763 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x814, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) + del x814 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1763, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 + del x1763 + x1764 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1764 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x809, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) + del x809 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1764, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 + del x1764 + x1765 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1765 += einsum(x11, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) + del x11 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1765, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + del x1765 + x1766 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1766 += einsum(x12, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) + del x12 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1766, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1766 + x1767 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1767 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x771, (4, 5, 6, 7, 1, 3), (4, 5, 6, 7, 0, 2)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1767, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -4.0 + del x1767 + x1768 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1768 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x713, (4, 1, 5, 3), (4, 0, 5, 2)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1768, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -4.0 + del x1768 + x1769 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1769 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x716, (4, 5, 1, 3), (4, 5, 0, 2)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1769, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -4.0 + del x1769 + x1770 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1770 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x564, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1770, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 + del x1770 + x1771 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1771 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x565, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1771, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) + del x1771 + x1772 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1772 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x564, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x564 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1772, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x1772 + x1773 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1773 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x565, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x565 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1773, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x1773 + x1774 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1774 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 6, 3), (0, 2, 1, 4, 6, 5)) + x1775 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1775 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1774, (4, 5, 6, 7, 1, 3), (4, 5, 0, 6, 7, 2)) + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1775, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x1775 + x1776 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1776 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1774, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 7, 2)) + del x1774 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1776, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x1776 + x1777 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1777 += einsum(x1, (0, 1), t2.abab[np.ix_(sOa,sob,sVa,svb)], (2, 3, 4, 1), (2, 4, 3, 0)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1777, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 + del x1777 + x1778 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1778 += einsum(x20, (0, 1), t2.abab[np.ix_(sOa,sob,sVa,svb)], (2, 3, 4, 1), (2, 4, 3, 0)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1778, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) + del x1778 + x1779 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1779 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x582, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1779, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -2.0 + del x1779 + x1780 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1780 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x771, (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 0, 6)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1780, (4, 5, 6, 0, 7, 1), (6, 7, 4, 2, 3, 5)) * 2.0 + x1781 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1781 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x176, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) + del x176 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1781, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1781 + x1782 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1782 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x582, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x582 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1782, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 + del x1782 + x1783 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1783 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x771, (4, 5, 6, 0, 7, 3), (4, 5, 6, 1, 7, 2)) + del x771 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1783, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1783 + x1784 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1784 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x16, (4, 1, 5, 3), (0, 4, 5, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1784, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) + del x1784 + x1785 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1785 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x552, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1785, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 + del x1785 + x1786 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1786 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x16, (4, 5, 1, 3), (0, 4, 5, 2)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1786, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 + del x1786 + x1787 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1787 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x550, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1787, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) + del x1787 + x1788 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1788 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x557, (4, 5, 6, 3), (4, 2, 0, 1, 5, 6)) + del x557 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1788, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x1788 + x1789 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1789 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x559, (4, 5, 6, 3), (4, 2, 0, 1, 5, 6)) + del x559 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1789, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x1789 + x1790 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1790 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x552, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) + del x552 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1790, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x1790 + x1791 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1791 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x550, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) + del x550 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1791, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x1791 + x1792 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1792 += einsum(x1, (0, 1), t2.abab[np.ix_(soa,sob,sVa,svb)], (2, 3, 4, 1), (4, 2, 3, 0)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1792, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) + del x1792 + x1793 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1793 += einsum(x20, (0, 1), t2.abab[np.ix_(soa,sob,sVa,svb)], (2, 3, 4, 1), (4, 2, 3, 0)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1793, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 + del x1793 + x1794 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1794 += einsum(x1, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1794, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) + del x1794 + x1795 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1795 += einsum(x20, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1795, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 + del x1795 + x1796 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1796 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x13, (0, 4, 5, 3), (1, 4, 5, 2)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1796, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * 2.0 + del x1796 + x1797 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1797 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x13, (0, 4, 1, 5), (2, 4, 5, 3)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1797, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 + del x1797 + x1798 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1798 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x577, (4, 5, 6, 3), (4, 2, 0, 1, 5, 6)) + del x577 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1798, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1798 + x1799 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1799 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1751, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + del x1751 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1799, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 + del x1799 + x1800 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1800 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x573, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1800, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * 2.0 + del x1800 + x1801 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1801 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x13, (4, 5, 1, 2), (0, 4, 5, 3)) + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1801, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1801 + x1802 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1802 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1756, (2, 3, 4, 0), (2, 3, 4, 1)) + del x1756 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1802, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1802 + x1803 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1803 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x573, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) + del x573 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1803, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1803 + x1804 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1804 += einsum(x15, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) + del x15 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1804, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 + del x1804 + x1805 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1805 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1513, (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) + del x1513 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1805, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 + del x1805 + x1806 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1806 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x904, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) + del x904 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1806, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x1806 + x1807 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1807 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x907, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) + del x907 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1807, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1807 + x1808 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1808 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x888, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) + del x888 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1808, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1808 + x1809 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1809 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x893, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) + del x893 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1809, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x1809 + x1810 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1810 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x719, (2, 3, 4, 1), (2, 3, 0, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1810, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) + del x1810 + x1811 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1811 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x719, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x719 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1811, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) + del x1811 + x1812 = np.zeros((naocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1812 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x716, (2, 3, 4, 1), (2, 3, 0, 4)) + x1813 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1813 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1812, (2, 0, 3, 4), (2, 3, 4, 1)) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1813, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 + del x1813 + x1814 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1814 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x716, (4, 5, 6, 3), (4, 2, 0, 5, 1, 6)) + del x716 + x1815 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1815 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1814, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x1814 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1815, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 + del x1815 + x1816 = np.zeros((navir[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1816 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x713, (2, 3, 4, 1), (2, 0, 3, 4)) + del x713 + x1817 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1817 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1816, (2, 3, 4, 1), (2, 0, 3, 4)) + t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1817, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 + del x1817 + x1818 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1818 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x714, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) + del x714 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1818, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 + del x1818 + x1819 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1819 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x197, (4, 5, 6, 1), (0, 2, 4, 5, 6, 3)) + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1819, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1819 + x1820 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1820 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1736, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x1736 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1820, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) + del x1820 + x1821 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1821 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x197, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) + del x197 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1821, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 + del x1821 + x1822 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1822 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1780, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x1780 + t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1822, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 + del x1822 + x1823 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1823 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1816, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + del x1816 + t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1823, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 + del x1823 + x1824 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1824 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1812, (2, 3, 4, 0), (2, 3, 4, 1)) + del x1812 + t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1824, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 + del x1824 + x1825 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1825 += einsum(f.bb.oo, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + t3new_bbbbbb += einsum(x1825, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1825, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x1825 + x1826 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1826 += einsum(f.bb.vv, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + t3new_bbbbbb += einsum(x1826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x1826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x1826 + x1827 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1827 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.oovO, (4, 1, 5, 6), (6, 3, 0, 4, 2, 5)) * -1.0 + t3new_bbbbbb += einsum(x1827, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1827, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1827, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1827, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1827 + x1828 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1828 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ooOV, (4, 1, 5, 6), (5, 6, 0, 4, 2, 3)) + t3new_bbbbbb += einsum(x1828, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1828, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1828 + x1829 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1829 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoO, (4, 5, 1, 6), (6, 3, 0, 4, 2, 5)) * -1.0 + t3new_bbbbbb += einsum(x1829, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1829, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1829, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1829, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + del x1829 + x1830 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1830 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.oOoV, (1, 4, 5, 6), (4, 6, 0, 5, 2, 3)) + t3new_bbbbbb += einsum(x1830, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1830, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1830 + x1831 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1831 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.oooV, (4, 0, 5, 6), (1, 6, 5, 4, 2, 3)) * -1.0 + t3new_bbbbbb += einsum(x1831, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1831, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x1831 + x1832 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1832 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 0, 5, 6), (1, 3, 4, 5, 2, 6)) + t3new_bbbbbb += einsum(x1832, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1832, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1832, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1832, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1832 + x1833 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1833 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (4, 5, 3, 6), (1, 6, 0, 4, 2, 5)) * -1.0 + t3new_bbbbbb += einsum(x1833, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1833, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1833, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1833, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + del x1833 + x1834 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1834 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.oVvv, (4, 5, 6, 3), (1, 5, 0, 4, 2, 6)) * -1.0 + t3new_bbbbbb += einsum(x1834, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1834, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1834, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1834, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1834 + x1835 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1835 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.vvvO, (4, 2, 5, 6), (6, 3, 0, 1, 5, 4)) * -1.0 + t3new_bbbbbb += einsum(x1835, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1835, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x1835 + x1836 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1836 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.vvOV, (4, 3, 5, 6), (5, 6, 0, 1, 2, 4)) + t3new_bbbbbb += einsum(x1836, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1836, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + del x1836 + x1837 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1837 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.vOvV, (4, 5, 3, 6), (5, 6, 0, 1, 2, 4)) + t3new_bbbbbb += einsum(x1837, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1837, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x1837 + x1838 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1838 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (5, 7, 3, 4, 2, 6)) + t3new_bbbbbb += einsum(x1838, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 1, 2)) * 2.0 + t3new_bbbbbb += einsum(x1838, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 1, 2)) * -2.0 + del x1838 + x1839 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1839 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (5, 3, 7, 4, 6, 2)) + t3new_bbbbbb += einsum(x1839, (0, 1, 2, 3, 4, 5), (3, 0, 1, 5, 4, 2)) * 2.0 + t3new_bbbbbb += einsum(x1839, (0, 1, 2, 3, 4, 5), (3, 0, 1, 4, 5, 2)) * -2.0 + del x1839 + x1840 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1840 += einsum(v.bbbb.ooOO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 3, 5, 6, 7), (2, 7, 4, 0, 5, 6)) + t3new_bbbbbb += einsum(x1840, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x1840, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x1840 + x1841 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1841 += einsum(v.bbbb.oovv, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 6, 2)) + t3new_bbbbbb += einsum(x1841, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1841, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x1841, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x1841, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + del x1841 + x1842 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1842 += einsum(v.bbbb.ooVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 7, 3), (5, 2, 4, 0, 6, 7)) + t3new_bbbbbb += einsum(x1842, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1842, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x1842 + x1843 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1843 += einsum(v.bbbb.oVoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 7, 3), (5, 1, 4, 0, 6, 7)) + t3new_bbbbbb += einsum(x1843, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x1843, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x1843 + x1844 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1844 += einsum(v.bbbb.vOvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 6, 0)) + t3new_bbbbbb += einsum(x1844, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1844, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + del x1844 + x1845 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1845 += einsum(v.bbbb.vvOO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 6, 0)) + t3new_bbbbbb += einsum(x1845, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x1845, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + del x1845 + x1846 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1846 += einsum(v.bbbb.vvVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 7, 0)) + t3new_bbbbbb += einsum(x1846, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1846, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + del x1846 + x1847 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1847 += einsum(x4, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 0, 3, 4, 5, 6), (3, 6, 1, 2, 4, 5)) + del x4 + t3new_bbbbbb += einsum(x1847, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1847, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x1847 + x1848 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1848 += einsum(f.bb.ov, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) + x1849 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1849 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1848, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) + del x1848 + t3new_bbbbbb += einsum(x1849, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x1849, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x1849 + x1850 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1850 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x926, (4, 5, 1, 6), (4, 5, 6, 0, 2, 3)) + del x926 + t3new_bbbbbb += einsum(x1850, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x1850, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x1850 + x1851 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1851 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x220, (0, 4, 5, 6), (1, 3, 4, 5, 2, 6)) + del x220 + t3new_bbbbbb += einsum(x1851, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x1851, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x1851 + x1852 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1852 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x927, (4, 1, 5, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x927 + t3new_bbbbbb += einsum(x1852, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x1852, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x1852, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x1852, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x1852 + x1853 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1853 += einsum(f.bb.ov, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,sVb)], (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1853, (4, 0, 5, 6), (5, 6, 1, 2, 3, 4)) * -4.0 + del x1853 + x1854 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1854 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x942, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) * -1.0 + del x942 + t3new_bbbbbb += einsum(x1854, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1854, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1854, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1854, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1854 + x1855 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1855 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x943, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 + del x943 + t3new_bbbbbb += einsum(x1855, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1855, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1855, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1855, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1855 + x1856 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1856 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x945, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 + del x945 + t3new_bbbbbb += einsum(x1856, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1856, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1856, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1856, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1856 + x1857 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1857 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x171, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x171 + t3new_bbbbbb += einsum(x1857, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1857, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1857 + x1858 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1858 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvO, (4, 2, 5, 6), (6, 3, 0, 1, 4, 5)) * -1.0 + x1859 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1859 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1858, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x1858 + t3new_bbbbbb += einsum(x1859, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1859, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x1859 + x1860 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1860 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (5, 6, 0, 1, 4, 2)) + x1861 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1861 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1860, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x1860 + t3new_bbbbbb += einsum(x1861, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1861, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x1861 + x1862 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1862 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x947, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x947 + t3new_bbbbbb += einsum(x1862, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1862, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1862 + x1863 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1863 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x948, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 + del x948 + t3new_bbbbbb += einsum(x1863, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1863, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1863, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1863, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1863 + x1864 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1864 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.oOvV, (4, 5, 3, 6), (5, 6, 0, 1, 4, 2)) + x1865 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1865 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1864, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x1864 + t3new_bbbbbb += einsum(x1865, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1865, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x1865 + x1866 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1866 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.oOvv, (4, 5, 6, 2), (5, 3, 0, 1, 4, 6)) * -1.0 + x1867 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1867 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1866, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x1866 + t3new_bbbbbb += einsum(x1867, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1867, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x1867 + x1868 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1868 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oovV, (2, 3, 1, 4), (4, 0, 2, 3)) + x1869 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1869 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1868, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x1868 + t3new_bbbbbb += einsum(x1869, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1869, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1869 + x1870 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1870 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x222, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x222 + t3new_bbbbbb += einsum(x1870, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1870, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1870, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1870, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1870 + x1871 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1871 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.oooo, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) + x1872 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1872 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1871, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) + del x1871 + t3new_bbbbbb += einsum(x1872, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1872, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1872, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1872, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1872 + x1873 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1873 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.oovV, (4, 5, 3, 6), (1, 6, 0, 4, 5, 2)) * -1.0 + x1874 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1874 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1873, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x1873 + t3new_bbbbbb += einsum(x1874, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1874, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1874, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1874, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1874 + x1875 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1875 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.oovv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + x1876 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1876 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1875, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x1875 + t3new_bbbbbb += einsum(x1876, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1876, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1876, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1876, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1876 + x1877 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1877 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovoV, (2, 1, 3, 4), (4, 0, 3, 2)) + x1878 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1878 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1877, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x1877 + t3new_bbbbbb += einsum(x1878, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1878, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1878 + x1879 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1879 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x16, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + t3new_bbbbbb += einsum(x1879, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1879, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1879, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1879, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + del x1879 + x1880 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1880 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovoV, (4, 3, 5, 6), (1, 6, 0, 5, 4, 2)) * -1.0 + x1881 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1881 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1880, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x1880 + t3new_bbbbbb += einsum(x1881, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1881, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1881, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1881, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1881 + x1882 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1882 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1413, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + t3new_bbbbbb += einsum(x1882, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1882, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1882, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1882, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1882 + x1883 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1883 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x954, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) + del x954 + t3new_bbbbbb += einsum(x1883, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1883, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1883 + x1884 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1884 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x955, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x955 + t3new_bbbbbb += einsum(x1884, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1884, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1884 + x1885 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1885 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x957, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x957 + t3new_bbbbbb += einsum(x1885, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1885, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x1885 + x1886 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1886 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x958, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x958 + t3new_bbbbbb += einsum(x1886, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1886, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x1886 + x1887 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1887 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oooo, (2, 3, 4, 0), (1, 2, 3, 4)) + x1888 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1888 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1887, (4, 5, 0, 6), (1, 4, 6, 5, 2, 3)) * -1.0 + del x1887 + t3new_bbbbbb += einsum(x1888, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1888, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1888 + x1889 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1889 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x960, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x960 + t3new_bbbbbb += einsum(x1889, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1889, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1889, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1889, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1889 + x1890 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1890 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x961, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + t3new_bbbbbb += einsum(x1890, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1890, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1890, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1890, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + del x1890 + x1891 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1891 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x963, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 + del x963 + t3new_bbbbbb += einsum(x1891, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1891, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1891, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1891, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + del x1891 + x1892 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1892 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x964, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) * -1.0 + del x964 + t3new_bbbbbb += einsum(x1892, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1892, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1892, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1892, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + del x1892 + x1893 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x1893 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.vvvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + x1894 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1894 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1893, (2, 3, 4, 1, 5, 6), (2, 3, 0, 4, 5, 6)) + del x1893 + t3new_bbbbbb += einsum(x1894, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1894, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1894, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1894, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1894 + x1895 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1895 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x970, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x970 + t3new_bbbbbb += einsum(x1895, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1895, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1895 + x1896 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1896 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x972, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x972 + t3new_bbbbbb += einsum(x1896, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1896, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1896, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1896, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1896 + x1897 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1897 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x974, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x974 + t3new_bbbbbb += einsum(x1897, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1897, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1897 + x1898 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1898 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + t3new_bbbbbb += einsum(x1898, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1898, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1898, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1898, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + del x1898 + x1899 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1899 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x976, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) + del x976 + t3new_bbbbbb += einsum(x1899, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1899, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x1899 + x1900 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1900 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x977, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x977 + t3new_bbbbbb += einsum(x1900, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1900, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + del x1900 + x1901 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x1901 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) + x1902 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1902 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1901, (4, 5, 2, 6), (4, 3, 0, 1, 6, 5)) * -1.0 + del x1901 + t3new_bbbbbb += einsum(x1902, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1902, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x1902 + x1903 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1903 += einsum(x6, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) + del x6 + t3new_bbbbbb += einsum(x1903, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1903, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x1903 + x1904 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1904 += einsum(x5, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) + del x5 + t3new_bbbbbb += einsum(x1904, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1904, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + del x1904 + x1905 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1905 += einsum(x140, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 2, 7), (5, 7, 1, 4, 6, 3)) + del x140 + t3new_bbbbbb += einsum(x1905, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1905, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1905, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1905, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + del x1905 + x1906 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1906 += einsum(x1201, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 2, 4, 6)) + del x1201 + t3new_bbbbbb += einsum(x1906, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 1, 2)) * 2.0 + t3new_bbbbbb += einsum(x1906, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 1, 2)) * -2.0 + del x1906 + x1907 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1907 += einsum(v.aabb.ovoO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (5, 3, 7, 4, 2, 6)) + x1908 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1908 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1907, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x1907 + t3new_bbbbbb += einsum(x1908, (0, 1, 2, 3, 4, 5), (3, 0, 1, 4, 5, 2)) * -2.0 + t3new_bbbbbb += einsum(x1908, (0, 1, 2, 3, 4, 5), (3, 0, 1, 5, 4, 2)) * 2.0 + del x1908 + x1909 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1909 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 3, 6)) + x1910 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1910 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1909, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x1909 + t3new_bbbbbb += einsum(x1910, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1910, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1910, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1910, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x1910 + x1911 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1911 += einsum(x1210, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 4, 2, 6)) + del x1210 + t3new_bbbbbb += einsum(x1911, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -2.0 + t3new_bbbbbb += einsum(x1911, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 2.0 + del x1911 + x1912 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1912 += einsum(x1215, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 6, 3)) + del x1215 + t3new_bbbbbb += einsum(x1912, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 + t3new_bbbbbb += einsum(x1912, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 + del x1912 + x1913 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1913 += einsum(x234, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 7), (4, 7, 0, 1, 5, 6)) + t3new_bbbbbb += einsum(x1913, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x1913, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x1913 + x1914 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1914 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) + x1915 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1915 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1914, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x1914 + t3new_bbbbbb += einsum(x1915, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x1915, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x1915, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x1915, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x1915 + x1916 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1916 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) + x1917 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1917 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1916, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x1916 + t3new_bbbbbb += einsum(x1917, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x1917, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x1917, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1917, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x1917 + x1918 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1918 += einsum(x7, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) + del x7 + t3new_bbbbbb += einsum(x1918, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x1918, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x1918 + x1919 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1919 += einsum(x8, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) + del x8 + t3new_bbbbbb += einsum(x1919, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1919, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x1919 + x1920 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1920 += einsum(x1005, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + del x1005 + t3new_bbbbbb += einsum(x1920, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x1920, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x1920 + x1921 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1921 += einsum(x160, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) + del x160 + t3new_bbbbbb += einsum(x1921, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1921, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x1921, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x1921, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 + del x1921 + x1922 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1922 += einsum(x161, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 2, 7), (5, 7, 0, 4, 6, 3)) + del x161 + t3new_bbbbbb += einsum(x1922, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x1922, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x1922, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1922, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 + del x1922 + x1923 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1923 += einsum(x1006, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + del x1006 + t3new_bbbbbb += einsum(x1923, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1923, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x1923 + x1924 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1924 += einsum(x1007, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 0), (5, 1, 2, 4, 6, 7)) + del x1007 + t3new_bbbbbb += einsum(x1924, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x1924, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x1924 + x1925 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1925 += einsum(v.bbbb.ovOO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 0, 6)) + x1926 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1926 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1925, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x1925 + t3new_bbbbbb += einsum(x1926, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x1926, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x1926 + x1927 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1927 += einsum(v.bbbb.oOvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 0, 6)) + x1928 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1928 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1927, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x1927 + t3new_bbbbbb += einsum(x1928, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x1928, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x1928 + x1929 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1929 += einsum(v.bbbb.ovvv, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) + x1930 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1930 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1929, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x1929 + t3new_bbbbbb += einsum(x1930, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x1930, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x1930 + x1931 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1931 += einsum(v.bbbb.ovVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 0, 7)) + x1932 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1932 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1931, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x1931 + t3new_bbbbbb += einsum(x1932, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x1932, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x1932 + x1933 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1933 += einsum(x10, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) + del x10 + t3new_bbbbbb += einsum(x1933, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1933, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + del x1933 + x1934 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1934 += einsum(x9, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 0, 6), (4, 6, 2, 3, 5, 1)) + del x9 + t3new_bbbbbb += einsum(x1934, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x1934, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + del x1934 + x1935 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1935 += einsum(x1015, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 7, 1), (5, 0, 4, 3, 6, 7)) + del x1015 + t3new_bbbbbb += einsum(x1935, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1935, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x1935 + x1936 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1936 += einsum(x1016, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 4, 2, 6, 7)) + del x1016 + t3new_bbbbbb += einsum(x1936, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x1936, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x1936 + x1937 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1937 += einsum(x1020, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 7, 2)) + del x1020 + t3new_bbbbbb += einsum(x1937, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1937, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + del x1937 + x1938 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1938 += einsum(x1023, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 1, 5, 6, 7), (0, 7, 4, 2, 5, 6)) + del x1023 + t3new_bbbbbb += einsum(x1938, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x1938, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x1938 + x1939 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1939 += einsum(x1025, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 6, 2)) + del x1025 + t3new_bbbbbb += einsum(x1939, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x1939, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + del x1939 + x1940 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1940 += einsum(x1026, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 2, 7), (0, 7, 4, 5, 6, 3)) + del x1026 + t3new_bbbbbb += einsum(x1940, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x1940, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + del x1940 + x1941 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1941 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1034, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x1034 + t3new_bbbbbb += einsum(x1941, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1941, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1941, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1941, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1941 + x1942 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1942 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1031, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1031 + t3new_bbbbbb += einsum(x1942, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1942, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x1942 + x1943 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1943 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x232, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x232 + t3new_bbbbbb += einsum(x1943, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1943, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1943, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1943, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1943 + x1944 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1944 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 5), (3, 1, 4, 5)) * -1.0 + x1945 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1945 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1944, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x1944 + t3new_bbbbbb += einsum(x1945, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1945, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1945 + x1946 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1946 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1051, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x1051 + t3new_bbbbbb += einsum(x1946, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1946, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1946, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1946, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1946 + x1947 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1947 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x915, (4, 5, 0, 6, 2, 7), (4, 5, 6, 1, 3, 7)) + del x915 + t3new_bbbbbb += einsum(x1947, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1947, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1947, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1947, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + del x1947 + x1948 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1948 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1063, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x1063 + t3new_bbbbbb += einsum(x1948, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1948, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1948, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1948, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1948 + x1949 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1949 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1044, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 + del x1044 + t3new_bbbbbb += einsum(x1949, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1949, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1949, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1949, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + del x1949 + x1950 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1950 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1042, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x1042 + t3new_bbbbbb += einsum(x1950, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1950, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1950 + x1951 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1951 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1049, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x1049 + t3new_bbbbbb += einsum(x1951, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1951, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x1951 + x1952 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x1952 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) * -1.0 + x1953 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1953 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1952, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 + del x1952 + t3new_bbbbbb += einsum(x1953, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1953, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + del x1953 + x1954 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1954 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1054, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x1054 + t3new_bbbbbb += einsum(x1954, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1954, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x1954 + x1955 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1955 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1073, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x1073 + t3new_bbbbbb += einsum(x1955, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x1955, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x1955, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x1955, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x1955 + x1956 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1956 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1067, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1067 + t3new_bbbbbb += einsum(x1956, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x1956, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x1956 + x1957 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1957 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1072, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x1072 + t3new_bbbbbb += einsum(x1957, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x1957, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x1957, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x1957, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x1957 + x1958 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1958 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1069, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1069 + t3new_bbbbbb += einsum(x1958, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x1958, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x1958 + x1959 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1959 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1070, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x1070 + t3new_bbbbbb += einsum(x1959, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1959, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1959, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1959, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x1959 + x1960 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x1960 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (1, 4, 0, 5), (5, 2, 3, 4)) + x1961 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1961 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1960, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 + del x1960 + t3new_bbbbbb += einsum(x1961, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1961, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x1961 + x1962 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1962 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x238, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x238 + t3new_bbbbbb += einsum(x1962, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x1962, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x1962, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x1962, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + del x1962 + x1963 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1963 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1074, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x1074 + t3new_bbbbbb += einsum(x1963, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x1963, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + del x1963 + x1964 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1964 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x236, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x236 + t3new_bbbbbb += einsum(x1964, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x1964, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x1964, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x1964, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + del x1964 + x1965 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1965 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1075, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x1075 + t3new_bbbbbb += einsum(x1965, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x1965, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + del x1965 + x1966 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1966 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) + x1967 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1967 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1966, (4, 5, 6, 7, 0, 1), (4, 5, 6, 7, 2, 3)) + t3new_bbbbbb += einsum(x1967, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1967, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1967, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1967, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1967 + x1968 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1968 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1078, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 + del x1078 + t3new_bbbbbb += einsum(x1968, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x1968, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x1968, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x1968, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + del x1968 + x1969 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1969 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 2), (3, 0, 4, 5)) * -1.0 + x1970 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1970 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1969, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x1969 + t3new_bbbbbb += einsum(x1970, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x1970, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + del x1970 + x1971 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1971 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1079, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 + del x1079 + t3new_bbbbbb += einsum(x1971, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x1971, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x1971, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x1971, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + del x1971 + x1972 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1972 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 2), (3, 0, 4, 5)) * -1.0 + x1973 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1973 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1972, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x1972 + t3new_bbbbbb += einsum(x1973, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x1973, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + del x1973 + x1974 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1974 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1094, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x1094 + t3new_bbbbbb += einsum(x1974, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1974, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1974, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1974, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1974, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1974, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1974, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1974, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + del x1974 + x1975 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1975 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1099, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x1099 + t3new_bbbbbb += einsum(x1975, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x1975, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x1975, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x1975, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x1975 + x1976 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1976 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1083, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1083 + t3new_bbbbbb += einsum(x1976, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1976, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1976, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1976, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x1976 + x1977 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1977 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1098, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x1098 + t3new_bbbbbb += einsum(x1977, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x1977, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x1977, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x1977, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x1977 + x1978 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1978 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1086, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x1086 + t3new_bbbbbb += einsum(x1978, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x1978, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x1978 + x1979 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1979 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (4, 2, 3, 5), (5, 0, 1, 4)) * -1.0 + x1980 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1980 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1979, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x1979 + t3new_bbbbbb += einsum(x1980, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1980, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x1980 + x1981 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1981 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1087, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x1087 + t3new_bbbbbb += einsum(x1981, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x1981, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x1981 + x1982 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1982 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1088, (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) + t3new_bbbbbb += einsum(x1982, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x1982, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x1982, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x1982, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x1982 + x1983 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1983 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1089, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 2, 7)) + t3new_bbbbbb += einsum(x1983, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x1983, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x1983, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x1983, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x1983 + x1984 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1984 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1090, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) + del x1090 + t3new_bbbbbb += einsum(x1984, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x1984, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x1984 + x1985 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1985 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x244, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x244 + t3new_bbbbbb += einsum(x1985, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1985, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1985, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1985, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x1985 + x1986 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1986 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1091, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x1091 + t3new_bbbbbb += einsum(x1986, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x1986, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x1986 + x1987 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1987 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1092, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 + del x1092 + t3new_bbbbbb += einsum(x1987, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1987, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1987, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1987, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1987, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1987, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1987, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1987, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x1987 + x1988 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1988 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1101, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x1101 + t3new_bbbbbb += einsum(x1988, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x1988, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x1988, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x1988, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x1988 + x1989 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1989 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1100, (4, 5, 3, 6), (1, 4, 0, 5, 2, 6)) * -1.0 + del x1100 + t3new_bbbbbb += einsum(x1989, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x1989, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x1989, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x1989, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x1989 + x1990 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x1990 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) * -1.0 + x1991 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1991 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1990, (4, 5, 2, 6), (4, 3, 0, 1, 5, 6)) * -1.0 + del x1990 + t3new_bbbbbb += einsum(x1991, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x1991, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x1991 + x1992 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x1992 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (0, 3, 4, 5), (1, 2, 4, 5)) * -1.0 + x1993 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1993 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1992, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 + del x1992 + t3new_bbbbbb += einsum(x1993, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x1993, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x1993 + x1994 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1994 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x917, (4, 5, 0, 6, 2, 7), (4, 5, 1, 6, 3, 7)) + del x917 + t3new_bbbbbb += einsum(x1994, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1994, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x1994, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1994, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x1994 + x1995 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1995 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1171, (4, 5, 0, 6, 2, 7), (4, 5, 1, 6, 3, 7)) + del x1171 + t3new_bbbbbb += einsum(x1995, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x1995, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x1995, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x1995, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x1995 + x1996 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1996 += einsum(x1337, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) + del x1337 + t3new_bbbbbb += einsum(x1996, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * -2.0 + t3new_bbbbbb += einsum(x1996, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * 2.0 + del x1996 + x1997 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1997 += einsum(x1334, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) + del x1334 + t3new_bbbbbb += einsum(x1997, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 2.0 + t3new_bbbbbb += einsum(x1997, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -2.0 + del x1997 + x1998 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1998 += einsum(x1344, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 3, 6)) + del x1344 + t3new_bbbbbb += einsum(x1998, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 + t3new_bbbbbb += einsum(x1998, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 + del x1998 + x1999 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1999 += einsum(x1346, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 3, 6)) + del x1346 + t3new_bbbbbb += einsum(x1999, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 2.0 + t3new_bbbbbb += einsum(x1999, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -2.0 + del x1999 + x2000 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2000 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x918, (4, 5, 0, 6, 2, 7), (4, 5, 1, 6, 3, 7)) + del x918 + t3new_bbbbbb += einsum(x2000, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x2000, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x2000, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x2000, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x2000 + x2001 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2001 += einsum(x14, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + del x14 + t3new_bbbbbb += einsum(x2001, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x2001, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x2001 + x2002 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2002 += einsum(x177, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + del x177 + t3new_bbbbbb += einsum(x2002, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x2002, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x2002 + x2003 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2003 += einsum(x1141, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + del x1141 + t3new_bbbbbb += einsum(x2003, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x2003, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 + del x2003 + x2004 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2004 += einsum(x1148, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + del x1148 + t3new_bbbbbb += einsum(x2004, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x2004, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x2004 + x2005 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2005 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1130, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x1130 + t3new_bbbbbb += einsum(x2005, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x2005, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x2005 + x2006 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2006 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1131, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x1131 + t3new_bbbbbb += einsum(x2006, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2006, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + del x2006 + x2007 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2007 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1133, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) + del x1133 + t3new_bbbbbb += einsum(x2007, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x2007, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2007, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x2007, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + del x2007 + x2008 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2008 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x250, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + t3new_bbbbbb += einsum(x2008, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x2008, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2008, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x2008, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + del x2008 + x2009 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2009 += einsum(x1371, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) + del x1371 + t3new_bbbbbb += einsum(x2009, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 4.0 + t3new_bbbbbb += einsum(x2009, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -4.0 + del x2009 + x2010 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2010 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1146, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x1146 + t3new_bbbbbb += einsum(x2010, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x2010, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2010, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x2010, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + del x2010 + x2011 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2011 += einsum(x1366, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 3, 6)) + del x1366 + t3new_bbbbbb += einsum(x2011, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 4.0 + t3new_bbbbbb += einsum(x2011, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -4.0 + del x2011 + x2012 = np.zeros((naocc[1], naocc[1], navir[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x2012 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ovvO, (4, 5, 2, 6), (1, 6, 3, 4, 0, 5)) + x2013 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2013 += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x2012, (6, 2, 7, 1, 8, 4), (6, 7, 5, 8, 0, 3)) + del x2012 + t3new_bbbbbb += einsum(x2013, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 4.0 + t3new_bbbbbb += einsum(x2013, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -4.0 + del x2013 + x2014 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2014 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x250, (4, 5, 0, 6), (1, 4, 3, 5, 2, 6)) + del x250 + t3new_bbbbbb += einsum(x2014, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 4.0 + t3new_bbbbbb += einsum(x2014, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -4.0 + del x2014 + x2015 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2015 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1153, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) + del x1153 + t3new_bbbbbb += einsum(x2015, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x2015, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x2015, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x2015, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x2015 + x2016 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2016 += einsum(x265, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 + t3new_bbbbbb += einsum(x2016, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 + t3new_bbbbbb += einsum(x2016, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 + del x2016 + x2017 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2017 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1155, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x1155 + t3new_bbbbbb += einsum(x2017, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 + t3new_bbbbbb += einsum(x2017, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 + del x2017 + x2018 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2018 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1156, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) + del x1156 + t3new_bbbbbb += einsum(x2018, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 + t3new_bbbbbb += einsum(x2018, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 + t3new_bbbbbb += einsum(x2018, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -12.0 + t3new_bbbbbb += einsum(x2018, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 12.0 + del x2018 + x2019 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2019 += einsum(x18, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 + del x18 + t3new_bbbbbb += einsum(x2019, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x2019, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x2019, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x2019, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x2019 + x2020 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2020 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1157, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) + del x1157 + t3new_bbbbbb += einsum(x2020, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 + t3new_bbbbbb += einsum(x2020, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 + t3new_bbbbbb += einsum(x2020, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 12.0 + t3new_bbbbbb += einsum(x2020, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 + del x2020 + x2021 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2021 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) * -1.0 + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x2021, (4, 5, 6, 7, 1, 0), (6, 7, 4, 2, 3, 5)) * -6.0 + x2022 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2022 += einsum(x183, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 + del x183 + t3new_bbbbbb += einsum(x2022, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x2022, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x2022, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x2022, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x2022 + x2023 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x2023 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 0, 4, 5, 6, 3), (4, 5, 6, 1)) + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2023, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * -6.0 + del x2023 + x2024 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x2024 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 0, 4, 5, 6, 3), (4, 5, 6, 1)) + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2024, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * -6.0 + del x2024 + x2025 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2025 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1158, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x1158 + t3new_bbbbbb += einsum(x2025, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 + t3new_bbbbbb += einsum(x2025, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 + t3new_bbbbbb += einsum(x2025, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 12.0 + t3new_bbbbbb += einsum(x2025, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 + del x2025 + x2026 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2026 += einsum(x1175, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + del x1175 + t3new_bbbbbb += einsum(x2026, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 + t3new_bbbbbb += einsum(x2026, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 + del x2026 + x2027 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2027 += einsum(x1176, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + del x1176 + t3new_bbbbbb += einsum(x2027, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 + t3new_bbbbbb += einsum(x2027, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 12.0 + del x2027 + x2028 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2028 += einsum(x1177, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + del x1177 + t3new_bbbbbb += einsum(x2028, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x2028, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x2028 + x2029 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2029 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1159, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x1159 + t3new_bbbbbb += einsum(x2029, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x2029, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x2029, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x2029, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x2029 + x2030 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2030 += einsum(x1181, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + del x1181 + t3new_bbbbbb += einsum(x2030, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 + t3new_bbbbbb += einsum(x2030, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 + t3new_bbbbbb += einsum(x2030, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 + t3new_bbbbbb += einsum(x2030, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 + del x2030 + x2031 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2031 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1160, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x1160 + t3new_bbbbbb += einsum(x2031, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x2031, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x2031, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x2031, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x2031 + x2032 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2032 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 3, 2, 1, 6), (6, 4, 5, 0)) + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2032, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * 12.0 + del x2032 + x2033 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2033 += einsum(x1184, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + del x1184 + t3new_bbbbbb += einsum(x2033, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 + t3new_bbbbbb += einsum(x2033, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 + del x2033 + x2034 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2034 += einsum(x1185, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) + del x1185 + t3new_bbbbbb += einsum(x2034, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x2034, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x2034 + x2035 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2035 += einsum(x1187, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + del x1187 + t3new_bbbbbb += einsum(x2035, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 + t3new_bbbbbb += einsum(x2035, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 + del x2035 + x2036 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2036 += einsum(t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (0, 1, 2, 3, 4, 5), x1188, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) + del x1188 + t3new_bbbbbb += einsum(x2036, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x2036, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x2036 + x2037 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2037 += einsum(t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (0, 1, 2, 3, 4, 5), x1189, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) + del x1189 + t3new_bbbbbb += einsum(x2037, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x2037, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x2037 + x2038 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2038 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x254, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x254 + t3new_bbbbbb += einsum(x2038, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 + t3new_bbbbbb += einsum(x2038, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 + del x2038 + x2039 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2039 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1231, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x1231 + t3new_bbbbbb += einsum(x2039, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2039, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2039, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2039, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2039 + x2040 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2040 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1232, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x1232 + t3new_bbbbbb += einsum(x2040, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2040, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2040, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2040, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2040 + x2041 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2041 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoO, (4, 2, 5, 6), (6, 3, 0, 1, 5, 4)) * -1.0 + x2042 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2042 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2041, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x2041 + x2043 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2043 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2042, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2042 + t3new_bbbbbb += einsum(x2043, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2043, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x2043 + x2044 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2044 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x234, (4, 5, 6, 0), (1, 3, 4, 6, 5, 2)) + x2045 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2045 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2044, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x2044 + t3new_bbbbbb += einsum(x2045, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2045, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2045, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2045, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2045 + x2046 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2046 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x234, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) + del x234 + x2047 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2047 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2046, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2046 + t3new_bbbbbb += einsum(x2047, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2047, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2047, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2047, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2047 + x2048 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2048 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1966, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x1966 + x2049 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2049 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2048, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x2048 + t3new_bbbbbb += einsum(x2049, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2049, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2049, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2049, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2049 + x2050 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2050 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1234, (2, 3, 4, 1), (2, 0, 3, 4)) + x2051 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2051 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2050, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x2050 + t3new_bbbbbb += einsum(x2051, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2051, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x2051 + x2052 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2052 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x269, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x269 + t3new_bbbbbb += einsum(x2052, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2052, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2052, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2052, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2052 + x2053 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2053 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1234, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 + del x1234 + x2054 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2054 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2053, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2053 + t3new_bbbbbb += einsum(x2054, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2054, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2054, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2054, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2054 + x2055 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2055 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1236, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 + del x1236 + x2056 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2056 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2055, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2055 + t3new_bbbbbb += einsum(x2056, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2056, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2056, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2056, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2056 + x2057 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2057 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1088, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) + del x1088 + x2058 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2058 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2057, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2057 + t3new_bbbbbb += einsum(x2058, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2058, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2058, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2058, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2058 + x2059 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2059 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1089, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) + del x1089 + x2060 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2060 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2059, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2059 + t3new_bbbbbb += einsum(x2060, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2060, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2060, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2060, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2060 + x2061 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2061 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1239, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1239 + t3new_bbbbbb += einsum(x2061, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2061, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2061 + x2062 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2062 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1241, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1241 + t3new_bbbbbb += einsum(x2062, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2062, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2062 + x2063 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2063 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1240, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x1240 + x2064 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2064 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2063, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2063 + t3new_bbbbbb += einsum(x2064, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2064, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x2064 + x2065 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2065 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1238, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x1238 + x2066 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2066 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2065, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2065 + t3new_bbbbbb += einsum(x2066, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2066, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x2066 + x2067 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2067 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1247, (2, 3, 4, 1), (2, 0, 3, 4)) + x2068 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2068 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2067, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x2067 + t3new_bbbbbb += einsum(x2068, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2068, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2068 + x2069 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2069 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1245, (2, 3, 4, 1), (2, 0, 4, 3)) + x2070 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2070 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2069, (4, 5, 0, 6), (1, 4, 5, 6, 2, 3)) * -1.0 + del x2069 + t3new_bbbbbb += einsum(x2070, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2070, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2070 + x2071 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2071 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1245, (4, 5, 6, 3), (1, 4, 0, 6, 5, 2)) * -1.0 + del x1245 + x2072 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2072 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2071, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) + del x2071 + t3new_bbbbbb += einsum(x2072, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2072, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2072, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2072, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2072 + x2073 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2073 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1247, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + del x1247 + x2074 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2074 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2073, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2073 + t3new_bbbbbb += einsum(x2074, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2074, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2074, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2074, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2074 + x2075 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2075 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1250, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 + del x1250 + t3new_bbbbbb += einsum(x2075, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2075, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2075, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2075, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2075 + x2076 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2076 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1251, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 + del x1251 + t3new_bbbbbb += einsum(x2076, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2076, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2076, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2076, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2076 + x2077 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2077 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1255, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 + del x1255 + t3new_bbbbbb += einsum(x2077, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2077, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2077, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2077, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2077 + x2078 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2078 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1256, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) * -1.0 + del x1256 + t3new_bbbbbb += einsum(x2078, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2078, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2078, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2078, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2078 + x2079 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2079 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1259, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1259 + t3new_bbbbbb += einsum(x2079, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2079, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2079 + x2080 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2080 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1261, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1261 + t3new_bbbbbb += einsum(x2080, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2080, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2080 + x2081 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2081 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1263, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 + del x1263 + t3new_bbbbbb += einsum(x2081, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2081, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2081, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2081, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2081 + x2082 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2082 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1265, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 + del x1265 + t3new_bbbbbb += einsum(x2082, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2082, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2082, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2082, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2082 + x2083 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2083 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1260, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x1260 + x2084 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2084 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2083, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2083 + t3new_bbbbbb += einsum(x2084, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2084, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x2084 + x2085 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2085 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1258, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x1258 + x2086 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2086 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2085, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2085 + t3new_bbbbbb += einsum(x2086, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2086, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x2086 + x2087 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2087 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1264, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 + del x1264 + x2088 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2088 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2087, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2087 + t3new_bbbbbb += einsum(x2088, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2088, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x2088 + x2089 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2089 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1262, (4, 5, 2, 6), (4, 3, 0, 1, 5, 6)) * -1.0 + del x1262 + x2090 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2090 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2089, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2089 + t3new_bbbbbb += einsum(x2090, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2090, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x2090 + x2091 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2091 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1268, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) + del x1268 + t3new_bbbbbb += einsum(x2091, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2091, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2091 + x2092 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2092 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1269, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) + del x1269 + t3new_bbbbbb += einsum(x2092, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2092, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2092 + x2093 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2093 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1271, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) + del x1271 + t3new_bbbbbb += einsum(x2093, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2093, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x2093 + x2094 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2094 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1272, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) + del x1272 + t3new_bbbbbb += einsum(x2094, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2094, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x2094 + x2095 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2095 += einsum(x21, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + del x21 + t3new_bbbbbb += einsum(x2095, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x2095, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x2095 + x2096 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2096 += einsum(x0, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x2097 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2097 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2096, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2096 + t3new_bbbbbb += einsum(x2097, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x2097, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x2097 + x2098 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2098 += einsum(x13, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 3, 7), (5, 7, 1, 4, 2, 6)) + del x13 + x2099 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2099 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2098, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2098 + t3new_bbbbbb += einsum(x2099, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2099, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2099, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2099, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2099 + x2100 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2100 += einsum(x1460, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) + del x1460 + t3new_bbbbbb += einsum(x2100, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * -2.0 + t3new_bbbbbb += einsum(x2100, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * 2.0 + del x2100 + x2101 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2101 += einsum(x982, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) + del x982 + x2102 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2102 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2101, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2101 + t3new_bbbbbb += einsum(x2102, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 + t3new_bbbbbb += einsum(x2102, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 + del x2102 + x2103 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2103 += einsum(x276, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (3, 2, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) + t3new_bbbbbb += einsum(x2103, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 + t3new_bbbbbb += einsum(x2103, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 + del x2103 + x2104 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2104 += einsum(x16, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) + x2105 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2105 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2104, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2104 + t3new_bbbbbb += einsum(x2105, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x2105, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x2105, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x2105, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x2105 + x2106 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2106 += einsum(x16, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) + del x16 + x2107 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2107 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2106, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2106 + t3new_bbbbbb += einsum(x2107, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x2107, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x2107, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x2107, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x2107 + x2108 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2108 += einsum(x22, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + del x22 + t3new_bbbbbb += einsum(x2108, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x2108, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x2108 + x2109 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2109 += einsum(x23, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + del x23 + t3new_bbbbbb += einsum(x2109, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x2109, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x2109 + x2110 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2110 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2021, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x2021 + t3new_bbbbbb += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2110, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 6.0 + del x2110 + x2111 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2111 += einsum(x1, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x2112 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2112 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2111, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2111 + t3new_bbbbbb += einsum(x2112, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x2112, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x2112 + x2113 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2113 += einsum(x20, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x2114 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2114 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2113, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2113 + t3new_bbbbbb += einsum(x2114, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x2114, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x2114 + x2115 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2115 += einsum(x1306, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + del x1306 + t3new_bbbbbb += einsum(x2115, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + t3new_bbbbbb += einsum(x2115, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 + del x2115 + x2116 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2116 += einsum(x1308, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + del x1308 + t3new_bbbbbb += einsum(x2116, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + t3new_bbbbbb += einsum(x2116, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 + del x2116 + x2117 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2117 += einsum(x1309, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + del x1309 + x2118 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2118 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2117, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2117 + t3new_bbbbbb += einsum(x2118, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x2118, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x2118 + x2119 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2119 += einsum(x1316, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + del x1316 + t3new_bbbbbb += einsum(x2119, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 + t3new_bbbbbb += einsum(x2119, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 + del x2119 + x2120 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2120 += einsum(x1318, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + del x1318 + t3new_bbbbbb += einsum(x2120, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 + t3new_bbbbbb += einsum(x2120, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 3.0 + del x2120 + x2121 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2121 += einsum(x1317, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + del x1317 + x2122 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2122 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2121, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2121 + t3new_bbbbbb += einsum(x2122, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 + t3new_bbbbbb += einsum(x2122, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 + del x2122 + x2123 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2123 += einsum(x1315, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + del x1315 + x2124 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2124 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2123, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2123 + t3new_bbbbbb += einsum(x2124, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 + t3new_bbbbbb += einsum(x2124, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 + del x2124 + x2125 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2125 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1368, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1368 + t3new_bbbbbb += einsum(x2125, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2125, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x2125 + x2126 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2126 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x272, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x272 + t3new_bbbbbb += einsum(x2126, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2126, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x2126 + x2127 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2127 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1369, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x1369 + t3new_bbbbbb += einsum(x2127, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2127, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x2127, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2127, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x2127 + x2128 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2128 += einsum(x0, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,sVb)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 + del x0 + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2128, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -4.0 + del x2128 + x2129 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2129 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x274, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x274 + t3new_bbbbbb += einsum(x2129, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2129, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2129, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2129, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2129 + x2130 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2130 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1390, (2, 3, 4, 1), (2, 0, 3, 4)) + x2131 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2131 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2130, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x2130 + t3new_bbbbbb += einsum(x2131, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2131, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2131 + x2132 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2132 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x980, (4, 5, 0, 6, 7, 2), (4, 5, 6, 1, 7, 3)) + del x980 + x2133 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2133 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2132, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2132 + t3new_bbbbbb += einsum(x2133, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2133, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2133, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2133, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2133 + x2134 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2134 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1390, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + del x1390 + x2135 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2135 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2134, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2134 + t3new_bbbbbb += einsum(x2135, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2135, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2135, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2135, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2135 + x2136 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2136 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1381, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x1381 + t3new_bbbbbb += einsum(x2136, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2136, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2136, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2136, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + del x2136 + x2137 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2137 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1379, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1379 + t3new_bbbbbb += einsum(x2137, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2137, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2137 + x2138 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2138 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 5), (1, 4, 3, 5)) * -1.0 + x2139 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2139 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2138, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 + del x2138 + x2140 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2140 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2139, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2139 + t3new_bbbbbb += einsum(x2140, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2140, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x2140 + x2141 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2141 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1378, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x1378 + x2142 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2142 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2141, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2141 + t3new_bbbbbb += einsum(x2142, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2142, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x2142 + x2143 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2143 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1399, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x1399 + t3new_bbbbbb += einsum(x2143, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2143, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2143, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2143, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2143 + x2144 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2144 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1397, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x1397 + t3new_bbbbbb += einsum(x2144, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2144, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + del x2144 + x2145 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2145 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1405, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x1405 + t3new_bbbbbb += einsum(x2145, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2145, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2145, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2145, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2145 + x2146 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2146 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1402, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1402 + t3new_bbbbbb += einsum(x2146, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2146, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x2146 + x2147 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2147 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x280, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x280 + t3new_bbbbbb += einsum(x2147, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2147, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x2147, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2147, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + del x2147 + x2148 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2148 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1408, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1408 + t3new_bbbbbb += einsum(x2148, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2148, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + del x2148 + x2149 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2149 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x278, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x278 + t3new_bbbbbb += einsum(x2149, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2149, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x2149, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2149, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + del x2149 + x2150 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2150 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1410, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1410 + t3new_bbbbbb += einsum(x2150, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2150, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + del x2150 + x2151 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2151 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1413, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) + x2152 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2152 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x2151, (4, 5, 6, 7, 0, 1), (4, 5, 6, 7, 2, 3)) + t3new_bbbbbb += einsum(x2152, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2152, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2152, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2152, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2152 + x2153 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2153 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1411, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x1411 + t3new_bbbbbb += einsum(x2153, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2153, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x2153, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2153, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + del x2153 + x2154 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2154 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1429, (2, 3, 4, 1), (2, 0, 3, 4)) + x2155 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2155 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2154, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x2154 + t3new_bbbbbb += einsum(x2155, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2155, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + del x2155 + x2156 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2156 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1412, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x1412 + t3new_bbbbbb += einsum(x2156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x2156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + del x2156 + x2157 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2157 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1427, (2, 3, 4, 1), (2, 0, 3, 4)) + x2158 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2158 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2157, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 + del x2157 + t3new_bbbbbb += einsum(x2158, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2158, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + del x2158 + x2159 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2159 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1425, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) + del x1425 + t3new_bbbbbb += einsum(x2159, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2159, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2159, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2159, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2159, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2159, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2159, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2159, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + del x2159 + x2160 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2160 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1413, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) + x2161 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2161 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2160, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2160 + t3new_bbbbbb += einsum(x2161, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x2161, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x2161, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2161, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x2161 + x2162 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2162 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1413, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) + del x1413 + x2163 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2163 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2162, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2162 + t3new_bbbbbb += einsum(x2163, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x2163, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x2163, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2163, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x2163 + x2164 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2164 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1407, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x1407 + x2165 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2165 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2164, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2164 + t3new_bbbbbb += einsum(x2165, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x2165, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x2165 + x2166 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2166 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x265, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) * -1.0 + del x265 + x2167 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2167 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2166, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2166 + t3new_bbbbbb += einsum(x2167, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2167, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2167, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2167, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x2167 + x2168 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2168 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1409, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x1409 + x2169 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2169 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2168, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2168 + t3new_bbbbbb += einsum(x2169, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x2169, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x2169 + x2170 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2170 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1419, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) + del x1419 + t3new_bbbbbb += einsum(x2170, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2170, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2170, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2170, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2170, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2170, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2170, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2170, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x2170 + x2171 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2171 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1429, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + del x1429 + x2172 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2172 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2171, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2171 + t3new_bbbbbb += einsum(x2172, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x2172, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x2172, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2172, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x2172 + x2173 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2173 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1427, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 + del x1427 + x2174 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2174 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2173, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2173 + t3new_bbbbbb += einsum(x2174, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x2174, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x2174, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2174, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x2174 + x2175 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2175 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 0, 3), (1, 4, 2, 5)) * -1.0 + x2176 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2176 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2175, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 + del x2175 + x2177 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2177 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2176, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2176 + t3new_bbbbbb += einsum(x2177, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x2177, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x2177 + x2178 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2178 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 0, 5), (1, 4, 2, 5)) * -1.0 + x2179 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2179 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2178, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 + del x2178 + x2180 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2180 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2179, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2179 + t3new_bbbbbb += einsum(x2180, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x2180, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x2180 + x2181 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2181 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1421, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1421 + t3new_bbbbbb += einsum(x2181, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2181, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x2181 + x2182 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2182 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1422, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1422 + t3new_bbbbbb += einsum(x2182, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2182, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x2182 + x2183 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2183 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x286, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x286 + t3new_bbbbbb += einsum(x2183, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2183, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x2183 + x2184 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2184 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x288, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) + del x288 + t3new_bbbbbb += einsum(x2184, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2184, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x2184 + x2185 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2185 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1423, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x1423 + t3new_bbbbbb += einsum(x2185, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2185, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x2185, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2185, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x2185 + x2186 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2186 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1424, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x1424 + t3new_bbbbbb += einsum(x2186, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2186, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x2186, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2186, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x2186 + x2187 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2187 += einsum(x1, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,sVb)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 + del x1 + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2187, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -4.0 + del x2187 + x2188 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2188 += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,sVb)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 + del x20 + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2188, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * 4.0 + del x2188 + x2189 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2189 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1440, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x1440 + t3new_bbbbbb += einsum(x2189, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2189, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x2189, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2189, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x2189 + x2190 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2190 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1434, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 + del x1434 + t3new_bbbbbb += einsum(x2190, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2190, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2190, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2190, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x2190 + x2191 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2191 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1439, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 + del x1439 + t3new_bbbbbb += einsum(x2191, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2191, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x2191, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2191, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x2191 + x2192 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2192 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1437, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x1437 + t3new_bbbbbb += einsum(x2192, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2192, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x2192 + x2193 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2193 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x961, (4, 5, 2, 3), (4, 0, 1, 5)) + del x961 + x2194 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2194 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2193, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) + del x2193 + t3new_bbbbbb += einsum(x2194, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2194, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x2194 + x2195 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2195 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1438, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x1438 + t3new_bbbbbb += einsum(x2195, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2195, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x2195 + x2196 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2196 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1448, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x1448 + t3new_bbbbbb += einsum(x2196, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2196, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 + t3new_bbbbbb += einsum(x2196, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2196, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 + del x2196 + x2197 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2197 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1442, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1442 + t3new_bbbbbb += einsum(x2197, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2197, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 + del x2197 + x2198 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2198 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1447, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 + del x1447 + t3new_bbbbbb += einsum(x2198, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2198, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 + t3new_bbbbbb += einsum(x2198, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + t3new_bbbbbb += einsum(x2198, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 + del x2198 + x2199 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2199 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1444, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1444 + t3new_bbbbbb += einsum(x2199, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 + t3new_bbbbbb += einsum(x2199, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 + del x2199 + x2200 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2200 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1445, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 + del x1445 + t3new_bbbbbb += einsum(x2200, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2200, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2200, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2200, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + del x2200 + x2201 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x2201 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x975, (4, 1, 0, 5), (4, 2, 3, 5)) * -1.0 + x2202 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2202 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2201, (4, 5, 6, 2), (4, 3, 0, 1, 6, 5)) * -1.0 + del x2201 + t3new_bbbbbb += einsum(x2202, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2202, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x2202 + x2203 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2203 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x276, (4, 5, 0, 6), (1, 3, 5, 4, 6, 2)) + del x276 + x2204 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2204 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2203, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2203 + t3new_bbbbbb += einsum(x2204, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2204, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2204, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2204, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2204 + x2205 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2205 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2151, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x2151 + x2206 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2206 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2205, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2205 + t3new_bbbbbb += einsum(x2206, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2206, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2206, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2206, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2206 + x2207 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2207 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1469, (2, 3, 4, 1), (2, 3, 0, 4)) + x2208 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2208 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2207, (4, 5, 6, 0), (1, 4, 6, 5, 2, 3)) * -1.0 + del x2207 + t3new_bbbbbb += einsum(x2208, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2208, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2208 + x2209 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2209 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1469, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 + del x1469 + x2210 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2210 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2209, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2209 + t3new_bbbbbb += einsum(x2210, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2210, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2210, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2210, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2210 + x2211 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2211 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1471, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 + del x1471 + x2212 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2212 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2211, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2211 + t3new_bbbbbb += einsum(x2212, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2212, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2212, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2212, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2212 + x2213 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2213 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1474, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x1474 + t3new_bbbbbb += einsum(x2213, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2213, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2213, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2213, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2213 + x2214 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2214 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1475, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 + del x1475 + t3new_bbbbbb += einsum(x2214, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2214, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2214, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2214, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2214 + x2215 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2215 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 5, 6, 2), (4, 3, 0, 1, 6, 5)) * -1.0 + del x975 + x2216 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2216 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2215, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) + del x2215 + x2217 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2217 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2216, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2216 + t3new_bbbbbb += einsum(x2217, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2217, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x2217 + x2218 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2218 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1477, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1477 + t3new_bbbbbb += einsum(x2218, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + t3new_bbbbbb += einsum(x2218, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 + del x2218 + x2219 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2219 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1479, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) + del x1479 + t3new_bbbbbb += einsum(x2219, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + t3new_bbbbbb += einsum(x2219, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 + del x2219 + x2220 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2220 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1476, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x1476 + x2221 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2221 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2220, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2220 + t3new_bbbbbb += einsum(x2221, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 + t3new_bbbbbb += einsum(x2221, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 + del x2221 + x2222 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2222 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1478, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) + del x1478 + x2223 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2223 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2222, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) + del x2222 + t3new_bbbbbb += einsum(x2223, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 + t3new_bbbbbb += einsum(x2223, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 + del x2223 + + t1new.aa = t1new_aa + t1new.bb = t1new_bb + t2new.aaaa = t2new_aaaa + t2new.abab = t2new_abab + t2new.bbbb = t2new_bbbb + t3new.aaaaaa = t3new_aaaaaa + t3new.abaaba = t3new_abaaba + t3new.babbab = t3new_babbab + t3new.bbbbbb = t3new_bbbbbb + + return {"t1new": t1new, "t2new": t2new, "t3new": t3new} + From a560ed4c61962235cde30f7b588866e8dfc6b6f8 Mon Sep 17 00:00:00 2001 From: Ollie Backhouse Date: Fri, 27 Oct 2023 19:58:50 +0100 Subject: [PATCH 08/10] Fix UCCSDt slices --- ebcc/codegen/UCCSDt.py | 4589 ++++++++++++++++++++-------------------- 1 file changed, 2294 insertions(+), 2295 deletions(-) diff --git a/ebcc/codegen/UCCSDt.py b/ebcc/codegen/UCCSDt.py index 04c98d60..903b359b 100644 --- a/ebcc/codegen/UCCSDt.py +++ b/ebcc/codegen/UCCSDt.py @@ -2,28 +2,27 @@ from ebcc import numpy as np from ebcc.util import pack_2e, einsum, Namespace -from ebcc.precision import types def energy(f=None, v=None, nocc=None, nvir=None, t1=None, t2=None, t3=None, **kwargs): # energy e_cc = 0 e_cc += einsum(t2.abab, (0, 1, 2, 3), v.aabb.ovov, (0, 2, 1, 3), ()) - e_cc += einsum(t2.bbbb, (0, 1, 2, 3), v.bbbb.ovov, (0, 3, 1, 2), ()) * -1.0 - e_cc += einsum(t2.aaaa, (0, 1, 2, 3), v.aaaa.ovov, (0, 3, 1, 2), ()) * -1.0 - x0 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) - x0 += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) * -1.0 - x0 += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) - x1 = np.zeros((nocc[1], nvir[1]), dtype=types[float]) + e_cc += einsum(t2.bbbb, (0, 1, 2, 3), v.bbbb.ovov, (0, 2, 1, 3), ()) + e_cc += einsum(t2.aaaa, (0, 1, 2, 3), v.aaaa.ovov, (0, 2, 1, 3), ()) + x0 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) + x0 += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) + x0 += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) * -1.0 + x1 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) x1 += einsum(f.bb.ov, (0, 1), (0, 1)) x1 += einsum(t1.aa, (0, 1), v.aabb.ovov, (0, 1, 2, 3), (2, 3)) - x1 += einsum(t1.bb, (0, 1), x0, (0, 2, 3, 1), (2, 3)) * -0.5 + x1 += einsum(t1.bb, (0, 1), x0, (0, 2, 1, 3), (2, 3)) * -0.5 del x0 e_cc += einsum(t1.bb, (0, 1), x1, (0, 1), ()) del x1 - x2 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x2 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x2 += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) x2 += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) * -1.0 - x3 = np.zeros((nocc[0], nvir[0]), dtype=types[float]) + x3 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) x3 += einsum(f.aa.ov, (0, 1), (0, 1)) x3 += einsum(t1.aa, (0, 1), x2, (0, 2, 1, 3), (2, 3)) * -0.5 del x2 @@ -55,7 +54,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) sVfb = np.ones((navir[1],), dtype=bool) # T amplitudes - t1new_bb = np.zeros((nocc[1], nvir[1]), dtype=types[float]) + t1new_bb = np.zeros((nocc[1], nvir[1]), dtype=np.float64) t1new_bb[np.ix_(sob,svb)] += einsum(f.bb.ov, (0, 1), (0, 1)) t1new_bb[np.ix_(sob,svb)] += einsum(f.bb.oo, (0, 1), t1.bb[np.ix_(sob,svb)], (1, 2), (0, 2)) * -1.0 t1new_bb[np.ix_(sob,svb)] += einsum(f.bb.vv, (0, 1), t1.bb[np.ix_(sob,svb)], (2, 1), (2, 0)) @@ -67,7 +66,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t1new_bb[np.ix_(sob,svb)] += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 2, 1, 5, 3), (4, 5)) t1new_bb[np.ix_(sob,svb)] += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 2, 5, 1, 3), (4, 5)) * 2.0 t1new_bb[np.ix_(sob,svb)] += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 0, 2, 5, 1, 3), (4, 5)) * 3.0 - t1new_aa = np.zeros((nocc[0], nvir[0]), dtype=types[float]) + t1new_aa = np.zeros((nocc[0], nvir[0]), dtype=np.float64) t1new_aa[np.ix_(soa,sva)] += einsum(f.aa.ov, (0, 1), (0, 1)) t1new_aa[np.ix_(soa,sva)] += einsum(f.aa.oo, (0, 1), t1.aa[np.ix_(soa,sva)], (1, 2), (0, 2)) * -1.0 t1new_aa[np.ix_(soa,sva)] += einsum(f.aa.vv, (0, 1), t1.aa[np.ix_(soa,sva)], (2, 1), (2, 0)) @@ -79,12 +78,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t1new_aa[np.ix_(soa,sva)] += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 0, 5, 3, 1), (4, 5)) * 2.0 t1new_aa[np.ix_(soa,sva)] += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 4, 2, 1, 5, 3), (4, 5)) t1new_aa[np.ix_(soa,sva)] += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 2, 5, 1, 3), (4, 5)) * 3.0 - t2new_aaaa = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + t2new_aaaa = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) * -1.0 t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(f.bb.ov, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(f.aa.OV, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 - t2new_abab = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + t2new_abab = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.aa.oo, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.bb.oo, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 @@ -109,21 +108,21 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.bbbb.ooOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 2, 5, 6, 3), (4, 0, 6, 5)) * -2.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.bbbb.vOvV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 0, 6, 3), (5, 4, 6, 2)) * -2.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.vvOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 2, 6, 1, 3), (5, 4, 0, 6)) * 2.0 - t2new_bbbb = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + t2new_bbbb = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) * -1.0 t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(f.aa.ov, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(f.bb.OV, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 - t3new_aaaaaa = np.zeros((nocc[0], nocc[0], naocc[0], nvir[0], nvir[0], navir[0]), dtype=types[float]) + t3new_aaaaaa = np.zeros((nocc[0], nocc[0], naocc[0], nvir[0], nvir[0], navir[0]), dtype=np.float64) t3new_aaaaaa += einsum(f.aa.OO, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 t3new_aaaaaa += einsum(f.aa.VV, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 - t3new_aaaaaa = np.zeros((nocc[0], naocc[0], naocc[0], nvir[0], navir[0], navir[0]), dtype=types[float]) + t3new_aaaaaa = np.zeros((nocc[0], naocc[0], naocc[0], nvir[0], navir[0], navir[0]), dtype=np.float64) t3new_aaaaaa += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 t3new_aaaaaa += einsum(v.aaaa.oooo, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (3, 1, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * -6.0 t3new_aaaaaa += einsum(v.aaaa.OVOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 6.0 t3new_aaaaaa += einsum(v.aaaa.OOVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 - t3new_aaaaaa += einsum(v.aaaa.vvvv, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 3, 1, 7), (4, 5, 6, 0, 2, 7)) * -6.0 - t3new_babbab = np.zeros((nocc[1], nocc[0], naocc[1], nvir[1], nvir[0], navir[1]), dtype=types[float]) + t3new_aaaaaa += einsum(v.aaaa.vvvv, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) * 6.0 + t3new_babbab = np.zeros((nocc[1], nocc[0], naocc[1], nvir[1], nvir[0], navir[1]), dtype=np.float64) t3new_babbab += einsum(f.bb.oo, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 t3new_babbab += einsum(f.aa.oo, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 t3new_babbab += einsum(f.bb.OO, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 @@ -170,7 +169,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_babbab += einsum(v.aabb.vvvv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 1, 7), (4, 5, 6, 2, 0, 7)) * 2.0 t3new_babbab += einsum(v.bbbb.vvVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) * 2.0 t3new_babbab += einsum(v.aabb.vvVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 7, 1, 3), (4, 5, 6, 7, 0, 2)) * 2.0 - t3new_abaaba = np.zeros((nocc[0], nocc[1], naocc[0], nvir[0], nvir[1], navir[0]), dtype=types[float]) + t3new_abaaba = np.zeros((nocc[0], nocc[1], naocc[0], nvir[0], nvir[1], navir[0]), dtype=np.float64) t3new_abaaba += einsum(f.aa.oo, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 t3new_abaaba += einsum(f.bb.oo, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 t3new_abaaba += einsum(f.aa.OO, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 @@ -217,259 +216,259 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_abaaba += einsum(v.aabb.vOOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 2, 6, 7, 3), (5, 4, 1, 0, 6, 7)) * -2.0 t3new_abaaba += einsum(v.aabb.oVOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 7, 6, 1)) * -2.0 t3new_abaaba += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 1, 6, 7)) * 2.0 - t3new_bbbbbb = np.zeros((nocc[1], nocc[1], naocc[1], nvir[1], nvir[1], navir[1]), dtype=types[float]) + t3new_bbbbbb = np.zeros((nocc[1], nocc[1], naocc[1], nvir[1], nvir[1], navir[1]), dtype=np.float64) t3new_bbbbbb += einsum(f.bb.OO, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 t3new_bbbbbb += einsum(f.bb.VV, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 - t3new_bbbbbb = np.zeros((nocc[1], naocc[1], naocc[1], nvir[1], navir[1], navir[1]), dtype=types[float]) + t3new_bbbbbb = np.zeros((nocc[1], naocc[1], naocc[1], nvir[1], navir[1], navir[1]), dtype=np.float64) t3new_bbbbbb += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (4, 5, 2, 6, 7, 3)) * 2.0 t3new_bbbbbb += einsum(v.bbbb.oooo, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (3, 1, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * -6.0 t3new_bbbbbb += einsum(v.bbbb.OVOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 6.0 t3new_bbbbbb += einsum(v.bbbb.OOVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 t3new_bbbbbb += einsum(v.bbbb.vvvv, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 3, 1, 7), (4, 5, 6, 0, 2, 7)) * -6.0 - x0 = np.zeros((nocc[1], nvir[1]), dtype=types[float]) + x0 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) x0 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovov, (0, 1, 2, 3), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(x0, (0, 1), (0, 1)) t1new_bb[np.ix_(sob,svb)] += einsum(x0, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 0, 3, 1), (2, 3)) * 2.0 t1new_aa[np.ix_(soa,sva)] += einsum(x0, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 1), (2, 3)) t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(x0, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 - x1 = np.zeros((nocc[1], nvir[1]), dtype=types[float]) + x1 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) x1 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovov, (2, 3, 0, 1), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(x1, (0, 1), (0, 1)) t1new_bb[np.ix_(sob,svb)] += einsum(x1, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 0, 3, 1), (2, 3)) * 2.0 t1new_aa[np.ix_(soa,sva)] += einsum(x1, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 1), (2, 3)) t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(x1, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 - x2 = np.zeros((nocc[1], nvir[1]), dtype=types[float]) + x2 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) x2 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 0, 1, 3), (4, 2)) t1new_bb[np.ix_(sob,svb)] += einsum(x2, (0, 1), (0, 1)) * -1.0 t1new_bb[np.ix_(sob,svb)] += einsum(x2, (0, 1), (0, 1)) * -1.0 del x2 - x3 = np.zeros((nocc[1], nvir[1]), dtype=types[float]) - x3 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 3, 4, 2), (0, 4)) * -1.0 + x3 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) + x3 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 2, 4, 3), (0, 4)) t1new_bb[np.ix_(sob,svb)] += einsum(x3, (0, 1), (0, 1)) * -1.0 t1new_bb[np.ix_(sob,svb)] += einsum(x3, (0, 1), (0, 1)) * -1.0 del x3 - x4 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) + x4 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) x4 += einsum(f.bb.ov, (0, 1), t1.bb[np.ix_(sob,svb)], (2, 1), (0, 2)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x4, (0, 2), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x4, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 4), (2, 1, 3, 4)) * -1.0 t3new_babbab += einsum(x4, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 2, 3, 4, 5, 6), (1, 2, 3, 4, 5, 6)) * -2.0 t3new_abaaba += einsum(x4, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 0, 3, 4, 5, 6), (2, 1, 3, 4, 5, 6)) * -2.0 - x5 = np.zeros((nvir[1], nvir[1]), dtype=types[float]) + x5 = np.zeros((nvir[1], nvir[1]), dtype=np.float64) x5 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovvv, (0, 1, 2, 3), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x5, (2, 1), (0, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x5, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) t3new_babbab += einsum(x5, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 t3new_abaaba += einsum(x5, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 - x6 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) + x6 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) x6 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoo, (0, 1, 2, 3), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x6, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x6, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 t3new_babbab += einsum(x6, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 t3new_abaaba += einsum(x6, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - x7 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) + x7 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) x7 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ooov, (2, 0, 3, 1), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x7, (2, 0), (2, 1)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x7, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) t3new_babbab += einsum(x7, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 t3new_abaaba += einsum(x7, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 - x8 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) + x8 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) x8 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ooov, (2, 3, 0, 1), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x8, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x8, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 t3new_babbab += einsum(x8, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 t3new_abaaba += einsum(x8, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - x9 = np.zeros((nvir[1], nvir[1]), dtype=types[float]) + x9 = np.zeros((nvir[1], nvir[1]), dtype=np.float64) x9 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvv, (0, 2, 3, 1), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x9, (1, 2), (0, 2)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x9, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 0), (2, 3, 4, 1)) * -1.0 t3new_babbab += einsum(x9, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 0, 5, 6), (2, 3, 4, 1, 5, 6)) * -2.0 t3new_abaaba += einsum(x9, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -2.0 - x10 = np.zeros((nvir[1], nvir[1]), dtype=types[float]) + x10 = np.zeros((nvir[1], nvir[1]), dtype=np.float64) x10 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvv, (0, 1, 2, 3), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x10, (2, 1), (0, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x10, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) t3new_babbab += einsum(x10, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 t3new_abaaba += einsum(x10, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 - x11 = np.zeros((nocc[0], nvir[0]), dtype=types[float]) + x11 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) x11 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovov, (2, 3, 0, 1), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(x11, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 1, 3), (2, 3)) t1new_aa[np.ix_(soa,sva)] += einsum(x11, (0, 1), (0, 1)) t1new_aa[np.ix_(soa,sva)] += einsum(x11, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 0, 3, 1), (2, 3)) * 2.0 t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(x11, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 - x12 = np.zeros((nocc[0], nvir[0]), dtype=types[float]) + x12 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) x12 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovov, (2, 1, 0, 3), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(x12, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 1, 3), (2, 3)) * -1.0 t1new_aa[np.ix_(soa,sva)] += einsum(x12, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 0, 3, 1), (2, 3)) * -2.0 t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(x12, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * -2.0 - x13 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x13 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x13 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovov, (2, 3, 4, 1), (2, 0, 4, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x13, (0, 4, 1, 2), (4, 3)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x13, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x13, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x13, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 - x14 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) + x14 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) x14 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 3), (1, 4)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x14, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x14, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 t3new_babbab += einsum(x14, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 t3new_abaaba += einsum(x14, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - x15 = np.zeros((nocc[0], nvir[0]), dtype=types[float]) + x15 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) x15 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovov, (2, 3, 0, 1), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(x15, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 1, 3), (2, 3)) t1new_aa[np.ix_(soa,sva)] += einsum(x15, (0, 1), (0, 1)) t1new_aa[np.ix_(soa,sva)] += einsum(x15, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 0, 3, 1), (2, 3)) * 2.0 t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(x15, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 - x16 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x16 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x16 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) - x17 = np.zeros((nocc[1], nvir[1]), dtype=types[float]) + x17 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) x17 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x16, (4, 0, 1, 3), (4, 2)) * -1.0 t1new_bb[np.ix_(sob,svb)] += einsum(x17, (0, 1), (0, 1)) * -1.0 t1new_bb[np.ix_(sob,svb)] += einsum(x17, (0, 1), (0, 1)) * -1.0 del x17 - x18 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) - x18 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 2), (0, 4)) * -1.0 - x19 = np.zeros((nocc[1], nvir[1]), dtype=types[float]) + x18 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) + x18 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 2, 1, 3), (0, 4)) + x19 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) x19 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x18, (2, 0), (2, 1)) t1new_bb[np.ix_(sob,svb)] += einsum(x19, (0, 1), (0, 1)) * -1.0 t1new_bb[np.ix_(sob,svb)] += einsum(x19, (0, 1), (0, 1)) * -1.0 del x19 - x20 = np.zeros((nocc[1], nvir[1]), dtype=types[float]) + x20 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) x20 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovov, (2, 1, 0, 3), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 0, 3, 1), (2, 3)) * -2.0 t1new_aa[np.ix_(soa,sva)] += einsum(x20, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 1), (2, 3)) * -1.0 t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(x20, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * -2.0 - x21 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) + x21 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) x21 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x0, (2, 1), (0, 2)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x21, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x21, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 t3new_babbab += einsum(x21, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 t3new_abaaba += einsum(x21, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - x22 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) + x22 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) x22 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x20, (2, 1), (0, 2)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x22, (2, 0), (2, 1)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x22, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) t3new_babbab += einsum(x22, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 t3new_abaaba += einsum(x22, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 - x23 = np.zeros((nocc[1], nocc[1]), dtype=types[float]) + x23 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) x23 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1, (2, 1), (0, 2)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x23, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x23, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 t3new_babbab += einsum(x23, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 t3new_abaaba += einsum(x23, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - x24 = np.zeros((nocc[0], nvir[0]), dtype=types[float]) - x24 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooov, (4, 1, 0, 3), (4, 2)) * -1.0 + x24 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) + x24 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 1, 3), (4, 2)) t1new_aa[np.ix_(soa,sva)] += einsum(x24, (0, 1), (0, 1)) * -1.0 t1new_aa[np.ix_(soa,sva)] += einsum(x24, (0, 1), (0, 1)) * -1.0 del x24 - x25 = np.zeros((nocc[0], nvir[0]), dtype=types[float]) + x25 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) x25 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (1, 2, 4, 3), (0, 4)) t1new_aa[np.ix_(soa,sva)] += einsum(x25, (0, 1), (0, 1)) * -1.0 t1new_aa[np.ix_(soa,sva)] += einsum(x25, (0, 1), (0, 1)) * -1.0 del x25 - x26 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x26 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) x26 += einsum(f.aa.ov, (0, 1), t1.aa[np.ix_(soa,sva)], (2, 1), (0, 2)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x26, (0, 2), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x26, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 3, 4), (1, 2, 3, 4)) * -1.0 t3new_babbab += einsum(x26, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 3, 4, 5, 6), (2, 1, 3, 4, 5, 6)) * -2.0 t3new_abaaba += einsum(x26, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 2, 3, 4, 5, 6), (1, 2, 3, 4, 5, 6)) * -2.0 - x27 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x27 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) x27 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ooov, (2, 0, 3, 1), (2, 3)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x27, (2, 0), (2, 1)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x27, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) t3new_babbab += einsum(x27, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 t3new_abaaba += einsum(x27, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 - x28 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x28 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) x28 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ooov, (2, 3, 0, 1), (2, 3)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x28, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x28, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 t3new_babbab += einsum(x28, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 t3new_abaaba += einsum(x28, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - x29 = np.zeros((nvir[0], nvir[0]), dtype=types[float]) + x29 = np.zeros((nvir[0], nvir[0]), dtype=np.float64) x29 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvv, (0, 2, 3, 1), (2, 3)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x29, (1, 2), (0, 2)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x29, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 0, 4), (2, 3, 1, 4)) * -1.0 t3new_babbab += einsum(x29, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -2.0 t3new_abaaba += einsum(x29, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 0, 5, 6), (2, 3, 4, 1, 5, 6)) * -2.0 - x30 = np.zeros((nvir[0], nvir[0]), dtype=types[float]) + x30 = np.zeros((nvir[0], nvir[0]), dtype=np.float64) x30 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvv, (0, 1, 2, 3), (2, 3)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x30, (2, 1), (0, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x30, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 3, 0, 4)) t3new_babbab += einsum(x30, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 t3new_abaaba += einsum(x30, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 - x31 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x31 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) x31 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ooov, (2, 3, 0, 1), (2, 3)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x31, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x31, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 t3new_babbab += einsum(x31, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 t3new_abaaba += einsum(x31, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - x32 = np.zeros((nvir[0], nvir[0]), dtype=types[float]) + x32 = np.zeros((nvir[0], nvir[0]), dtype=np.float64) x32 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vvov, (2, 3, 0, 1), (2, 3)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x32, (2, 1), (0, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x32, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 3, 0, 4)) t3new_babbab += einsum(x32, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 t3new_abaaba += einsum(x32, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 - x33 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x33 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x33 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovov, (2, 1, 3, 4), (0, 2, 3, 4)) t1new_aa[np.ix_(soa,sva)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x33, (4, 0, 1, 3), (4, 2)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x33, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x33, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x33, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 - x34 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x34 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) x34 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 1, 3), (0, 4)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x34, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x34, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 t3new_babbab += einsum(x34, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 t3new_abaaba += einsum(x34, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - x35 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x35 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x35 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) - x36 = np.zeros((nocc[0], nvir[0]), dtype=types[float]) + x36 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) x36 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x35, (4, 0, 1, 3), (4, 2)) * -1.0 t1new_aa[np.ix_(soa,sva)] += einsum(x36, (0, 1), (0, 1)) * -1.0 t1new_aa[np.ix_(soa,sva)] += einsum(x36, (0, 1), (0, 1)) * -1.0 del x36 - x37 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x37 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) x37 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 1, 3), (0, 4)) - x38 = np.zeros((nocc[0], nvir[0]), dtype=types[float]) + x38 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) x38 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x37, (2, 0), (2, 1)) t1new_aa[np.ix_(soa,sva)] += einsum(x38, (0, 1), (0, 1)) * -1.0 t1new_aa[np.ix_(soa,sva)] += einsum(x38, (0, 1), (0, 1)) * -1.0 del x38 - x39 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x39 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) x39 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x12, (2, 1), (0, 2)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x39, (2, 0), (2, 1)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x39, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) t3new_babbab += einsum(x39, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 t3new_abaaba += einsum(x39, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 - x40 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x40 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) x40 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x11, (2, 1), (0, 2)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x40, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x40, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 t3new_babbab += einsum(x40, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 t3new_abaaba += einsum(x40, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - x41 = np.zeros((nocc[0], nocc[0]), dtype=types[float]) + x41 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) x41 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x15, (2, 1), (0, 2)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x41, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x41, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 t3new_babbab += einsum(x41, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 t3new_abaaba += einsum(x41, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - x42 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x42 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x42 += einsum(f.aa.oo, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (0, 2, 3, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x42, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x42, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x42 - x43 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x43 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x43 += einsum(f.aa.vv, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 0, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x43, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x43, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x43 - x44 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x44 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x44 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ooov, (2, 0, 3, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x44, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x44, (0, 1, 2, 3), (1, 0, 2, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x44, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x44, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x44 - x45 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x45 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x45 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x45, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x45, (0, 1, 2, 3), (0, 1, 3, 2)) @@ -478,284 +477,284 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x45, (4, 0, 2, 5), (4, 1, 5, 3)) t3new_babbab += einsum(x45, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 2, 7), (4, 0, 5, 6, 3, 7)) * 2.0 t3new_abaaba += einsum(x45, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 2, 6, 7), (0, 4, 5, 3, 6, 7)) * 2.0 - x46 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x46 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x46 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x46, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x46, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x46, (0, 1, 2, 3), (1, 0, 3, 2)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x46, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - x47 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) - x47 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.oooo, (4, 0, 5, 1), (4, 5, 2, 3)) + x47 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) + x47 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.oooo, (4, 1, 5, 0), (4, 5, 2, 3)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x47, (0, 1, 2, 3), (1, 0, 3, 2)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x47, (0, 1, 2, 3), (1, 0, 3, 2)) del x47 - x48 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x48 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x48 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.oovv, (4, 1, 5, 3), (0, 4, 2, 5)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x48, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x48, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x48, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x48, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x48 - x49 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x49 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x49 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x49, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x49, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x49, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x49, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 - x50 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) - x50 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.vvvv, (4, 2, 5, 3), (0, 1, 4, 5)) + x50 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) + x50 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.vvvv, (4, 3, 5, 2), (0, 1, 4, 5)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x50, (0, 1, 2, 3), (1, 0, 3, 2)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x50, (0, 1, 2, 3), (1, 0, 3, 2)) del x50 - x51 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x51 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x51 += einsum(v.aabb.oOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 1, 5, 3, 6), (6, 4, 0, 5)) t2new_aaaa[np.ix_(soa,soa,sva,sVa)] += einsum(x51, (0, 1, 2, 3), (2, 1, 3, 0)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sVa)] += einsum(x51, (0, 1, 2, 3), (1, 2, 3, 0)) * -2.0 del x51 - x52 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x52 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x52 += einsum(v.aabb.vVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 1), (5, 4, 6, 0)) t2new_aaaa[np.ix_(soa,sOa,sva,sva)] += einsum(x52, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 t2new_aaaa[np.ix_(soa,sOa,sva,sva)] += einsum(x52, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 del x52 - x53 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x53 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x53 += einsum(v.aaaa.ooOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 2, 5, 6, 3), (4, 0, 5, 6)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x53, (0, 1, 2, 3), (1, 0, 3, 2)) * -6.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x53, (0, 1, 2, 3), (0, 1, 3, 2)) * 6.0 del x53 - x54 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x54 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x54 += einsum(v.aaaa.vOvV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 0, 3), (4, 5, 6, 2)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x54, (0, 1, 2, 3), (0, 1, 3, 2)) * 6.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x54, (0, 1, 2, 3), (0, 1, 2, 3)) * -6.0 del x54 - x55 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x55 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x55 += einsum(x26, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 0, 3, 4), (1, 2, 3, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x55, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x55, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x55 - x56 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x56 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x56 += einsum(f.aa.ov, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (0, 2, 3, 4)) - x57 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x57 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x57 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x56, (0, 2, 3, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x57, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x57, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 del x57 - x58 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x58 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x58 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) - x59 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x59 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x59 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x58, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x59, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x59, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x59, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x59, (0, 1, 2, 3), (1, 0, 3, 2)) del x59 - x60 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x60 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x60 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oooo, (2, 3, 4, 0), (2, 3, 4, 1)) - x61 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x61 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x61 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x60, (2, 0, 3, 4), (2, 3, 1, 4)) del x60 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x61, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x61, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x61 - x62 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x62 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x62 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x35, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x62, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x62, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x62, (0, 1, 2, 3), (1, 0, 2, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x62, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x62 - x63 = np.zeros((nocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x63 = np.zeros((nocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) x63 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x64 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x64 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x64 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x63, (2, 3, 1, 4), (0, 2, 3, 4)) del x63 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x64, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x64, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x64 - x65 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x65 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x65 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) - x66 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x66 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x66 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x65, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x66, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x66, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x66, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x66, (0, 1, 2, 3), (1, 0, 3, 2)) del x66 - x67 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x67 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x67 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vvov, (2, 1, 3, 4), (0, 3, 2, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x67, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x67, (4, 1, 5, 3), (4, 0, 5, 2)) * 2.0 t3new_babbab += einsum(x67, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * 6.0 - x68 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x68 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x68 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x67, (4, 1, 5, 3), (4, 0, 2, 5)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x68, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x68, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x68, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x68, (0, 1, 2, 3), (1, 0, 2, 3)) del x68 - x69 = np.zeros((nocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x69 = np.zeros((nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x69 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - x70 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x70 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x70 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x69, (4, 5, 1, 0), (4, 5, 2, 3)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x70, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x70, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x70, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x70, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x70 - x71 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x71 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x71 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) - x72 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x72 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x72 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x71, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x72, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x72, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x72, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x72, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x72 - x73 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x73 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x73 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) - x74 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x74 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x74 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x73, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x74, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x74, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x74, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x74, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x74 - x75 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x75 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x75 += einsum(x27, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (2, 0, 3, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x75, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x75, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x75 - x76 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x76 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x76 += einsum(x28, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (2, 0, 3, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x76, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x76, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x76 - x77 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x77 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x77 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x77, (4, 0, 5, 2), (4, 1, 5, 3)) * -1.0 t3new_babbab += einsum(x77, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 t3new_abaaba += einsum(x77, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 - x78 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x78 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x78 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x77, (4, 1, 5, 3), (4, 0, 2, 5)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x78, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x78, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x78, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x78, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x78 - x79 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x79 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x79 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x45, (4, 1, 3, 5), (4, 0, 2, 5)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x79, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x79, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x79, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x79, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x79 - x80 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) - x80 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 2, 5, 3), (0, 1, 4, 5)) - x81 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x80 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) + x80 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 3, 5, 2), (0, 1, 4, 5)) * -1.0 + x81 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x81 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x80, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x81, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x81, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x81, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x81, (0, 1, 2, 3), (0, 1, 3, 2)) del x81 - x82 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x82 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x82 += einsum(x30, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 4, 0)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x82, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x82, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 del x82 - x83 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x83 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x83 += einsum(x29, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 0), (2, 3, 4, 1)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x83, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x83, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 del x83 - x84 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x84 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x84 += einsum(x31, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (2, 0, 3, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x84, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x84, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x84 - x85 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x85 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x85 += einsum(x32, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 4, 0)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x85, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x85, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 del x85 - x86 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x86 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x86 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vOov, (1, 2, 3, 4), (2, 0, 3, 4)) - x87 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x87 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x87 += einsum(x86, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 0, 5, 3, 6), (6, 1, 4, 5)) del x86 t2new_aaaa[np.ix_(soa,soa,sva,sVa)] += einsum(x87, (0, 1, 2, 3), (1, 2, 3, 0)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sVa)] += einsum(x87, (0, 1, 2, 3), (2, 1, 3, 0)) * -2.0 del x87 - x88 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x88 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x88 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 1), (5, 4, 0, 6)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x88, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 - x89 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x89 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x89 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x88, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,sOa,sva,sva)] += einsum(x89, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 t2new_aaaa[np.ix_(soa,sOa,sva,sva)] += einsum(x89, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x89 - x90 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x90 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x90 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x90, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x90, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 - x91 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x91 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x91 += einsum(x90, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x91, (0, 1, 2, 3), (0, 1, 3, 2)) * -3.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x91, (0, 1, 2, 3), (1, 0, 3, 2)) * 3.0 del x91 - x92 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x92 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x92 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oVvO, (2, 3, 1, 4), (4, 3, 0, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x92, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) - x93 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x93 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x93 += einsum(x92, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) del x92 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x93, (0, 1, 2, 3), (0, 1, 3, 2)) * 3.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x93, (0, 1, 2, 3), (1, 0, 3, 2)) * -3.0 del x93 - x94 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x94 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x94 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 2, 6, 1, 3), (4, 5, 0, 6)) - x95 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x95 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x95 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x94, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x95, (0, 1, 2, 3), (0, 1, 2, 3)) * 6.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x95, (0, 1, 2, 3), (0, 1, 3, 2)) * -6.0 del x95 - x96 = np.zeros((naocc[0], navir[0]), dtype=types[float]) + x96 = np.zeros((naocc[0], navir[0]), dtype=np.float64) x96 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovOV, (0, 1, 2, 3), (2, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x96, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x96, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 2.0 del x96 - x97 = np.zeros((naocc[0], navir[0]), dtype=types[float]) + x97 = np.zeros((naocc[0], navir[0]), dtype=np.float64) x97 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oVvO, (0, 2, 1, 3), (3, 2)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x97, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * -6.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x97, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * -2.0 del x97 - x98 = np.zeros((naocc[0], navir[0]), dtype=types[float]) + x98 = np.zeros((naocc[0], navir[0]), dtype=np.float64) x98 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVov, (2, 3, 0, 1), (2, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x98, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x98, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 2.0 del x98 - x99 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x99 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x99 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x99, (0, 1, 2, 3), (0, 1, 2, 3)) - x100 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) - x100 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x99, (4, 1, 5, 3), (0, 4, 2, 5)) + x100 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) + x100 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x99, (4, 1, 5, 3), (4, 0, 5, 2)) del x99 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x100, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x100, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x100 - x101 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x101 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x101 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) - x102 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) - x102 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x101, (4, 1, 5, 3), (0, 4, 2, 5)) + x102 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) + x102 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x101, (4, 1, 5, 3), (4, 0, 5, 2)) del x101 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x102, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x102, (0, 1, 2, 3), (0, 1, 3, 2)) del x102 - x103 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x103 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x103 += einsum(x34, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (2, 0, 3, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x103, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x103, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 del x103 - x104 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x104 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x104 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x46, (4, 1, 5, 3), (0, 4, 2, 5)) del x46 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x104, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 @@ -763,56 +762,56 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x104, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x104, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 del x104 - x105 = np.zeros((nvir[0], nvir[0]), dtype=types[float]) + x105 = np.zeros((nvir[0], nvir[0]), dtype=np.float64) x105 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 4, 1, 3), (2, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x105, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 3, 0, 4)) * -1.0 t3new_babbab += einsum(x105, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * -2.0 t3new_abaaba += einsum(x105, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * -2.0 - x106 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x106 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x106 += einsum(x105, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 4, 0)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x106, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x106, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 del x106 - x107 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) - x107 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x49, (4, 1, 5, 3), (0, 4, 2, 5)) + x107 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) + x107 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x49, (4, 1, 5, 3), (4, 0, 5, 2)) del x49 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x107, (0, 1, 2, 3), (0, 1, 2, 3)) * 4.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x107, (0, 1, 2, 3), (0, 1, 3, 2)) * -4.0 del x107 - x108 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x108 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x108 += einsum(x37, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (2, 0, 3, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x108, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x108, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x108, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x108, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x108 - x109 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x109 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x109 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) - x110 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) - x110 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x109, (4, 1, 5, 3), (0, 4, 2, 5)) + x110 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) + x110 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x109, (4, 1, 5, 3), (4, 0, 5, 2)) del x109 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x110, (0, 1, 2, 3), (0, 1, 2, 3)) * -4.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x110, (0, 1, 2, 3), (0, 1, 3, 2)) * 4.0 del x110 - x111 = np.zeros((nvir[0], nvir[0]), dtype=types[float]) - x111 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (0, 3, 1, 4), (2, 4)) * -1.0 - x112 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x111 = np.zeros((nvir[0], nvir[0]), dtype=np.float64) + x111 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (0, 4, 1, 3), (2, 4)) + x112 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x112 += einsum(x111, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 4, 0)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x112, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x112, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x112, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x112, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 del x112 - x113 = np.zeros((nocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x113 = np.zeros((nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x113 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 5, 3), (0, 1, 4, 5)) - x114 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x114 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x114 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x113, (4, 5, 0, 1), (5, 4, 2, 3)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x114, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x114, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x114 - x115 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x115 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x115 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x69, (2, 3, 4, 0), (2, 4, 3, 1)) - x116 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x116 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x116 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x115, (2, 0, 3, 4), (2, 3, 1, 4)) del x115 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x116, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 @@ -820,216 +819,216 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x116, (0, 1, 2, 3), (1, 0, 2, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x116, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x116 - x117 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x117 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x117 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x45, (2, 3, 1, 4), (0, 2, 3, 4)) - x118 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x118 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x118 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x117, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x118, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x118, (0, 1, 2, 3), (1, 0, 2, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x118, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x118, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x118 - x119 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x119 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x119 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x33, (4, 5, 1, 3), (4, 0, 5, 2)) - x120 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x120 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x120 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x119, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x120, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x120, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x120, (0, 1, 2, 3), (1, 0, 2, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x120, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x120 - x121 = np.zeros((nocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x121 = np.zeros((nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x121 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x35, (2, 3, 4, 1), (2, 0, 4, 3)) - x122 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x122 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x122 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x121, (4, 5, 0, 1), (5, 4, 2, 3)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x122, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x122, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x122 - x123 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x123 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x123 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x35, (4, 1, 5, 3), (4, 0, 5, 2)) - x124 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x124 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x124 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x123, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x124, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x124, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x124, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x124, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x124 - x125 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x125 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x125 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x35, (4, 5, 1, 3), (4, 0, 5, 2)) - x126 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x126 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x126 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x125, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x126, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x126, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x126, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x126, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x126 - x127 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x127 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x127 += einsum(x39, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (0, 2, 3, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x127, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x127, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x127 - x128 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x128 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x128 += einsum(x40, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (0, 2, 3, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x128, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x128, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x128 - x129 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x129 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x129 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x113, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 - x130 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x130 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x130 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x129, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 del x129 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x130, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x130, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x130 - x131 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x131 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x131 += einsum(x11, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 0, 4)) - x132 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x132 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x132 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x131, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x132, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x132, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 del x132 - x133 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x133 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x133 += einsum(x12, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 0, 4)) - x134 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x134 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x134 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x133, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x134, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x134, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 del x134 - x135 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x135 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x135 += einsum(x41, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (0, 2, 3, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x135, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x135, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x135 - x136 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x136 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x136 += einsum(x15, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 0, 4)) - x137 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x137 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x137 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x136, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x137, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x137, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 del x137 - x138 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x138 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x138 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x121, (2, 3, 0, 4), (3, 2, 4, 1)) - x139 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x139 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x139 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x138, (2, 3, 0, 4), (2, 3, 1, 4)) del x138 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x139, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x139, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x139 - x140 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x140 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x140 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovvv, (2, 3, 4, 1), (2, 0, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x140, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x140, (1, 4, 3, 5), (0, 4, 2, 5)) * 2.0 t3new_abaaba += einsum(x140, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 5, 6, 2, 7), (4, 1, 5, 6, 3, 7)) * 6.0 - x141 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x141 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x141 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 2), (4, 1, 5, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x141, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x141, (1, 4, 3, 5), (0, 4, 2, 5)) * 2.0 - x142 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x142 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x142 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 3), (4, 0, 5, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x142, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x142, (1, 4, 3, 5), (0, 4, 2, 5)) * 4.0 - x143 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x143 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x143 += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (0, 2, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x143, (0, 2, 3, 4), (2, 3, 1, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x143, (0, 4, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x143, (0, 4, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 del x143 - x144 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x144 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x144 += einsum(f.bb.ov, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 0, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x144, (2, 0, 3, 4), (2, 3, 4, 1)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x144, (4, 0, 5, 6), (5, 4, 1, 2, 6, 3)) * -2.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x144, (4, 1, 5, 6), (4, 5, 0, 6, 3, 2)) * -1.0 del x144 - x145 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x145 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x145 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oovv, (2, 3, 4, 1), (2, 3, 0, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x145, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x145, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x145, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 del x145 - x146 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x146 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x146 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oooo, (2, 3, 4, 0), (2, 3, 4, 1)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x146, (2, 0, 3, 4), (2, 3, 1, 4)) del x146 - x147 = np.zeros((nocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x147 = np.zeros((nocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) x147 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x147, (2, 3, 1, 4), (0, 2, 3, 4)) del x147 - x148 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x148 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x148 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vvoo, (2, 1, 3, 4), (0, 3, 4, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x148, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x148, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x148, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 del x148 - x149 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x149 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x149 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 2), (4, 5, 1, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x149, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x149, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x149, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 del x149 - x150 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x150 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x150 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 2), (4, 5, 1, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x150, (2, 0, 3, 4), (2, 3, 1, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x150, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x150, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * 2.0 del x150 - x151 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x151 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x151 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoo, (2, 1, 3, 4), (0, 2, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x151, (4, 0, 5, 1), (4, 5, 2, 3)) t3new_babbab += einsum(x151, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 t3new_abaaba += einsum(x151, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 - x152 = np.zeros((nocc[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x152 = np.zeros((nocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x152 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x152, (4, 0, 5, 3), (4, 1, 2, 5)) * -1.0 t3new_babbab += einsum(x152, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -2.0 t3new_abaaba += einsum(x152, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -2.0 del x152 - x153 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x153 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x153 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 2, 5, 1), (0, 4, 5, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x153, (2, 0, 3, 4), (2, 3, 1, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x153, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x153, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * 2.0 del x153 - x154 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x154 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x154 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 2, 5, 3), (0, 4, 1, 5)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x154, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x154, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x154, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 del x154 - x155 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x155 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x155 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 3), (4, 5, 0, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x155, (2, 0, 3, 4), (2, 3, 1, 4)) * -2.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x155, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -2.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x155, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -4.0 del x155 - x156 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x156 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x156 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ooov, (2, 3, 4, 1), (2, 3, 0, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x156, (4, 0, 5, 1), (4, 5, 2, 3)) t3new_babbab += einsum(x156, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 t3new_abaaba += einsum(x156, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 - x157 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x157 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x157 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x157, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x157, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x157, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 del x157 - x158 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x158 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x158 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x158, (2, 3, 0, 4), (2, 3, 4, 1)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x158, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * 2.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x158, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) del x158 - x159 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x159 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x159 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 5, 3), (4, 1, 5, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x159, (2, 3, 0, 4), (2, 3, 4, 1)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x159, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * 2.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x159, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) del x159 - x160 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x160 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x160 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x160, (4, 1, 5, 3), (0, 4, 2, 5)) * -1.0 t3new_babbab += einsum(x160, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 t3new_abaaba += einsum(x160, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 - x161 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x161 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x161 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x161, (4, 1, 3, 5), (0, 4, 2, 5)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x161, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 @@ -1038,92 +1037,92 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x161, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 t3new_babbab += einsum(x161, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 2, 6, 7), (0, 4, 5, 3, 6, 7)) * 2.0 t3new_abaaba += einsum(x161, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 2, 7), (4, 0, 5, 6, 3, 7)) * 2.0 - x162 = np.zeros((nocc[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x162 = np.zeros((nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x162 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vvov, (2, 3, 4, 1), (0, 4, 2, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x162, (4, 1, 5, 2), (0, 4, 5, 3)) * -1.0 t3new_babbab += einsum(x162, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -2.0 t3new_abaaba += einsum(x162, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -2.0 - x163 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x163 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x163 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 5, 3), (0, 1, 5, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x163, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x163, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x163, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 del x163 - x164 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x164 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x164 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aabb.ovoo, (1, 3, 4, 5), (0, 4, 5, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x164, (2, 3, 0, 4), (2, 3, 4, 1)) * -2.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x164, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -4.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x164, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -2.0 del x164 - x165 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x165 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x165 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 2, 1, 6, 3), (4, 0, 5, 6)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x165, (2, 0, 3, 4), (2, 3, 1, 4)) * -2.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x165, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -2.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x165, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -4.0 del x165 - x166 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x166 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x166 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x166, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 0, 5, 6, 1), (2, 4, 6, 5)) * -2.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x166, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 - x167 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x167 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x167 += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 2, 6, 1, 3), (5, 0, 4, 6)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x167, (2, 0, 3, 4), (2, 3, 1, 4)) * -2.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x167, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -2.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x167, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -4.0 del x167 - x168 = np.zeros((naocc[1], navir[1]), dtype=types[float]) + x168 = np.zeros((naocc[1], navir[1]), dtype=np.float64) x168 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovOV, (0, 1, 2, 3), (2, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x168, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x168, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 del x168 - x169 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x169 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x169 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVov, (2, 3, 4, 1), (2, 3, 0, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x169, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 0, 5, 6, 1), (4, 2, 5, 6)) * -2.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x169, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 - x170 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x170 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x170 += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 3, 1), (4, 5, 2, 6)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x170, (2, 3, 0, 4), (2, 3, 4, 1)) * -2.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x170, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -4.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x170, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -2.0 del x170 - x171 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x171 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x171 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x171, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 0, 5, 6, 1), (4, 2, 6, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x171, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x172 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x172 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x172 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oVvO, (2, 3, 1, 4), (4, 3, 0, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x172, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 0, 5, 6, 1), (4, 2, 6, 5)) - x173 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x173 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x173 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x173, (2, 3, 0, 4), (2, 3, 4, 1)) * -2.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x173, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -4.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x173, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -2.0 del x173 - x174 = np.zeros((naocc[1], navir[1]), dtype=types[float]) + x174 = np.zeros((naocc[1], navir[1]), dtype=np.float64) x174 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovOV, (0, 1, 2, 3), (2, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x174, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x174, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 del x174 - x175 = np.zeros((naocc[1], navir[1]), dtype=types[float]) + x175 = np.zeros((naocc[1], navir[1]), dtype=np.float64) x175 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oVvO, (0, 2, 1, 3), (3, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x175, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x175, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * -6.0 del x175 - x176 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x176 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x176 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 5, 3), (0, 4, 1, 5)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x176, (4, 0, 5, 1), (4, 5, 2, 3)) t3new_babbab += einsum(x176, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 t3new_abaaba += einsum(x176, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 - x177 = np.zeros((nvir[1], nvir[1]), dtype=types[float]) + x177 = np.zeros((nvir[1], nvir[1]), dtype=np.float64) x177 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 1, 4), (3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x177, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) * -1.0 t3new_babbab += einsum(x177, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * -2.0 t3new_abaaba += einsum(x177, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * -2.0 - x178 = np.zeros((nocc[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x178 = np.zeros((nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x178 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 4, 5, 3), (1, 5, 2, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x178, (4, 1, 5, 2), (0, 4, 5, 3)) del x178 - x179 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x179 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x179 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 5), (1, 4, 3, 5)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x179, (4, 1, 5, 3), (0, 4, 2, 5)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x179, (0, 1, 2, 3), (0, 1, 2, 3)) @@ -1131,400 +1130,400 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x179, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x179, (0, 1, 2, 3), (1, 0, 3, 2)) del x179 - x180 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x180 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x180 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x180, (4, 1, 5, 3), (0, 4, 2, 5)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x180, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x180, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x180, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x180, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 - x181 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x181 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x181 += einsum(x18, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x181, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x181, (0, 1, 2, 3), (0, 1, 2, 3)) del x181 - x182 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x182 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x182 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x182, (4, 1, 5, 3), (0, 4, 2, 5)) * -2.0 - x183 = np.zeros((nvir[1], nvir[1]), dtype=types[float]) + x183 = np.zeros((nvir[1], nvir[1]), dtype=np.float64) x183 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (0, 4, 1, 3), (2, 4)) - x184 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x184 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x184 += einsum(x183, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x184, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x184, (0, 1, 2, 3), (0, 1, 2, 3)) del x184 - x185 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x185 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x185 += einsum(x111, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 3, 0, 4)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x185, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x185, (0, 1, 2, 3), (0, 1, 2, 3)) del x185 - x186 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x186 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x186 += einsum(x37, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x186, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x186, (0, 1, 2, 3), (0, 1, 2, 3)) del x186 - x187 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x187 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x187 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 0, 5), (4, 1, 5, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x187, (1, 4, 3, 5), (0, 4, 2, 5)) * -2.0 - x188 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x188 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x188 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x140, (2, 3, 1, 4), (0, 2, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x188, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x188, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x188, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 del x188 - x189 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x189 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x189 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x151, (2, 3, 4, 0), (2, 3, 4, 1)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x189, (2, 0, 3, 4), (2, 3, 1, 4)) del x189 - x190 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x190 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x190 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x156, (2, 3, 4, 0), (3, 2, 4, 1)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x190, (0, 2, 3, 4), (2, 3, 1, 4)) del x190 - x191 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x191 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x191 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x162, (2, 3, 4, 1), (0, 2, 3, 4)) del x162 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x191, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x191, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x191, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 del x191 - x192 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x192 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x192 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x35, (4, 0, 5, 2), (4, 5, 1, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x192, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x192, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x192, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 del x192 - x193 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x193 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x193 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x35, (4, 5, 0, 2), (4, 5, 1, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x193, (2, 0, 3, 4), (2, 3, 1, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x193, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x193, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * 2.0 del x193 - x194 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x194 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x194 += einsum(x11, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x194, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x194, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x194, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 del x194 - x195 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x195 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x195 += einsum(x12, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x195, (2, 0, 3, 4), (2, 3, 1, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x195, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x195, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * 2.0 del x195 - x196 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x196 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x196 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x33, (4, 5, 1, 3), (4, 5, 0, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x196, (2, 0, 3, 4), (2, 3, 1, 4)) * -2.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x196, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -2.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x196, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -4.0 del x196 - x197 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x197 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x197 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x13, (2, 3, 4, 1), (0, 2, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x197, (4, 0, 5, 1), (4, 5, 2, 3)) t3new_babbab += einsum(x197, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 t3new_abaaba += einsum(x197, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 - x198 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x198 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x198 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x33, (4, 0, 5, 3), (4, 1, 5, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x198, (2, 3, 0, 4), (2, 3, 4, 1)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x198, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * 2.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x198, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) del x198 - x199 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x199 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x199 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x13, (4, 5, 1, 2), (0, 4, 5, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x199, (2, 0, 3, 4), (2, 3, 1, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x199, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x199, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * 2.0 del x199 - x200 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x200 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x200 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x176, (2, 3, 4, 0), (2, 3, 4, 1)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x200, (2, 0, 3, 4), (2, 3, 1, 4)) del x200 - x201 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x201 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x201 += einsum(x15, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x201, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x201, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x201, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 del x201 - x202 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x202 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x202 += einsum(x0, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x202, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x202, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x202, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 del x202 - x203 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x203 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x203 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x16, (4, 1, 5, 3), (0, 4, 5, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x203, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x203, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x203, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 del x203 - x204 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x204 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x204 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x16, (4, 5, 1, 3), (0, 4, 5, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x204, (2, 3, 0, 4), (2, 3, 4, 1)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x204, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * 2.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x204, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) del x204 - x205 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x205 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x205 += einsum(x1, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x205, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x205, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x205, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 del x205 - x206 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x206 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x206 += einsum(x20, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x206, (2, 3, 0, 4), (2, 3, 4, 1)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x206, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * 2.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x206, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) del x206 - x207 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x207 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x207 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x13, (1, 4, 5, 3), (0, 4, 5, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x207, (2, 3, 0, 4), (2, 3, 4, 1)) * -2.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x207, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -4.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x207, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -2.0 del x207 - x208 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x208 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x208 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x197, (2, 3, 4, 0), (2, 3, 4, 1)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x208, (2, 0, 3, 4), (2, 3, 1, 4)) del x208 - x209 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x209 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x209 += einsum(f.bb.oo, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (0, 2, 3, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x209, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x209, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x209 - x210 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x210 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x210 += einsum(f.bb.vv, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x210, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x210, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x210 - x211 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x211 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x211 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ooov, (2, 0, 3, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x211, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x211, (0, 1, 2, 3), (1, 0, 2, 3)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x211, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x211, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x211 - x212 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x212 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x212 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.oooo, (4, 0, 5, 1), (4, 5, 2, 3)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x212, (0, 1, 2, 3), (1, 0, 3, 2)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x212, (0, 1, 2, 3), (1, 0, 3, 2)) del x212 - x213 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x213 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x213 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.oovv, (4, 1, 5, 3), (0, 4, 2, 5)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x213, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x213, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x213, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x213, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x213 - x214 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x214 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x214 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.vvvv, (4, 2, 5, 3), (0, 1, 4, 5)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x214, (0, 1, 2, 3), (1, 0, 3, 2)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x214, (0, 1, 2, 3), (1, 0, 3, 2)) del x214 - x215 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x215 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x215 += einsum(v.aabb.ovoO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 3, 5, 1, 6), (6, 4, 2, 5)) t2new_bbbb[np.ix_(sob,sob,svb,sVb)] += einsum(x215, (0, 1, 2, 3), (2, 1, 3, 0)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,sVb)] += einsum(x215, (0, 1, 2, 3), (1, 2, 3, 0)) * -2.0 del x215 - x216 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x216 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x216 += einsum(v.aabb.ovvV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 3), (5, 4, 6, 2)) t2new_bbbb[np.ix_(sob,sOb,svb,svb)] += einsum(x216, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 t2new_bbbb[np.ix_(sob,sOb,svb,svb)] += einsum(x216, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 del x216 - x217 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x217 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x217 += einsum(v.bbbb.ooOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 2, 5, 6, 3), (4, 0, 5, 6)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x217, (0, 1, 2, 3), (1, 0, 3, 2)) * -6.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x217, (0, 1, 2, 3), (0, 1, 3, 2)) * 6.0 del x217 - x218 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x218 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x218 += einsum(v.bbbb.vOvV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 0, 3), (4, 5, 6, 2)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x218, (0, 1, 2, 3), (0, 1, 3, 2)) * 6.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x218, (0, 1, 2, 3), (0, 1, 2, 3)) * -6.0 del x218 - x219 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x219 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x219 += einsum(x4, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 0, 3, 4), (1, 2, 3, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x219, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x219, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x219 - x220 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x220 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x220 += einsum(f.bb.ov, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (0, 2, 3, 4)) - x221 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x221 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x221 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x220, (0, 2, 3, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x221, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x221, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 del x221 - x222 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x222 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x222 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) - x223 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x223 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x223 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x222, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x223, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x223, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x223, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x223, (0, 1, 2, 3), (1, 0, 3, 2)) del x223 - x224 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x224 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x224 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oooo, (2, 3, 4, 0), (2, 3, 4, 1)) - x225 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) - x225 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x224, (2, 0, 3, 4), (2, 3, 1, 4)) + x225 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) + x225 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x224, (2, 0, 3, 4), (3, 2, 4, 1)) del x224 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x225, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x225, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x225 - x226 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x226 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x226 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x16, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x226, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x226, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x226, (0, 1, 2, 3), (1, 0, 2, 3)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x226, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x226 - x227 = np.zeros((nocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x227 = np.zeros((nocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) x227 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x228 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x228 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x228 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x227, (2, 3, 1, 4), (0, 2, 3, 4)) del x227 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x228, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x228, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x228 - x229 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x229 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x229 += einsum(x6, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x229, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x229, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x229 - x230 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x230 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x230 += einsum(x5, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x230, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x230, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 del x230 - x231 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x231 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x231 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x140, (0, 4, 2, 5), (4, 1, 3, 5)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x231, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x231, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x231, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x231, (0, 1, 2, 3), (1, 0, 2, 3)) del x231 - x232 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x232 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x232 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 5), (1, 4, 5, 3)) - x233 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x233 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x233 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x232, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x233, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x233, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x233, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x233, (0, 1, 2, 3), (1, 0, 3, 2)) del x233 - x234 = np.zeros((nocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x234 = np.zeros((nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x234 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - x235 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x235 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x235 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x234, (4, 5, 0, 1), (4, 5, 2, 3)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x235, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x235, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x235, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x235, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x235 - x236 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x236 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x236 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) - x237 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x237 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x237 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x236, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x237, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x237, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x237, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x237, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x237 - x238 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x238 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x238 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) - x239 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x239 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x239 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x238, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x239, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x239, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x239, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x239, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x239 - x240 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x240 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x240 += einsum(x7, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x240, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x240, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x240 - x241 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x241 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x241 += einsum(x8, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x241, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x241, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x241 - x242 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x242 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x242 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x160, (4, 1, 5, 3), (4, 0, 2, 5)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x242, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x242, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x242, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x242, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x242 - x243 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x243 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x243 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x161, (4, 1, 3, 5), (4, 0, 2, 5)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x243, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x243, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x243, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x243, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x243 - x244 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) - x244 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 2, 5, 3), (0, 1, 4, 5)) - x245 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x244 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) + x244 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 3, 5, 2), (0, 1, 4, 5)) * -1.0 + x245 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x245 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x244, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x245, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x245, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x245, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x245, (0, 1, 2, 3), (0, 1, 3, 2)) del x245 - x246 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x246 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x246 += einsum(x10, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x246, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x246, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 del x246 - x247 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x247 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x247 += einsum(x9, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 0), (2, 3, 4, 1)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x247, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x247, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 del x247 - x248 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x248 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x248 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovvO, (2, 3, 1, 4), (4, 2, 0, 3)) - x249 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x249 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x249 += einsum(x248, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 0, 5, 3, 6), (6, 2, 4, 5)) del x248 t2new_bbbb[np.ix_(sob,sob,svb,sVb)] += einsum(x249, (0, 1, 2, 3), (1, 2, 3, 0)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,sVb)] += einsum(x249, (0, 1, 2, 3), (2, 1, 3, 0)) * -2.0 del x249 - x250 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x250 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x250 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 3), (5, 4, 2, 6)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x250, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 - x251 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x251 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x251 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x250, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sOb,svb,svb)] += einsum(x251, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 t2new_bbbb[np.ix_(sob,sOb,svb,svb)] += einsum(x251, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x251 - x252 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x252 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x252 += einsum(x171, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x252, (0, 1, 2, 3), (0, 1, 3, 2)) * -3.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x252, (0, 1, 2, 3), (1, 0, 3, 2)) * 3.0 del x252 - x253 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x253 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x253 += einsum(x172, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) del x172 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x253, (0, 1, 2, 3), (0, 1, 3, 2)) * 3.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x253, (0, 1, 2, 3), (1, 0, 3, 2)) * -3.0 del x253 - x254 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x254 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x254 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 2, 6, 1, 3), (4, 5, 0, 6)) - x255 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x255 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x255 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x254, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x255, (0, 1, 2, 3), (0, 1, 2, 3)) * 6.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x255, (0, 1, 2, 3), (0, 1, 3, 2)) * -6.0 del x255 - x256 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x256 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x256 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x141, (0, 4, 2, 5), (4, 1, 5, 3)) del x141 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x256, (0, 1, 2, 3), (1, 0, 3, 2)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x256, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 del x256 - x257 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x257 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x257 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x187, (0, 4, 2, 5), (4, 1, 5, 3)) del x187 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x257, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x257, (0, 1, 2, 3), (1, 0, 2, 3)) del x257 - x258 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x258 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x258 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x142, (0, 4, 2, 5), (1, 4, 3, 5)) del x142 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x258, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 @@ -1532,52 +1531,52 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x258, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x258, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 del x258 - x259 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x259 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x259 += einsum(x14, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x259, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x259, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x259 - x260 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x260 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x260 += einsum(x177, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x260, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x260, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 del x260 - x261 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x261 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x261 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x180, (4, 1, 5, 3), (4, 0, 5, 2)) del x180 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x261, (0, 1, 2, 3), (0, 1, 2, 3)) * 4.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x261, (0, 1, 2, 3), (0, 1, 3, 2)) * -4.0 del x261 - x262 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x262 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x262 += einsum(x18, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x262, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x262, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x262, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x262, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x262 - x263 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x263 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x263 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x182, (4, 1, 5, 3), (4, 0, 5, 2)) del x182 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x263, (0, 1, 2, 3), (0, 1, 2, 3)) * -4.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x263, (0, 1, 2, 3), (0, 1, 3, 2)) * 4.0 del x263 - x264 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x264 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x264 += einsum(x183, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x264, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x264, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x264, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x264, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 del x264 - x265 = np.zeros((nocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x265 = np.zeros((nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x265 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 2, 5, 3), (0, 1, 4, 5)) - x266 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x266 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x266 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x265, (4, 5, 0, 1), (5, 4, 2, 3)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x266, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x266, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x266 - x267 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x267 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x267 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x234, (2, 3, 4, 0), (2, 4, 3, 1)) - x268 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x268 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x268 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x267, (2, 0, 3, 4), (2, 3, 1, 4)) del x267 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x268, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 @@ -1585,289 +1584,289 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x268, (0, 1, 2, 3), (1, 0, 2, 3)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x268, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x268 - x269 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x269 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x269 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x161, (2, 3, 1, 4), (0, 2, 3, 4)) - x270 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x270 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x270 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x269, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x270, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x270, (0, 1, 2, 3), (1, 0, 2, 3)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x270, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x270, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x270 - x271 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x271 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x271 += einsum(x21, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (0, 2, 3, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x271, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x271, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x271 - x272 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x272 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x272 += einsum(x0, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) - x273 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x273 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x273 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x272, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x273, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x273, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 del x273 - x274 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x274 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x274 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x13, (0, 4, 5, 2), (4, 1, 5, 3)) - x275 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x275 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x275 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x274, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x275, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x275, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x275, (0, 1, 2, 3), (1, 0, 2, 3)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x275, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 del x275 - x276 = np.zeros((nocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x276 = np.zeros((nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x276 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x16, (2, 3, 4, 1), (2, 0, 4, 3)) - x277 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) - x277 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x276, (4, 5, 1, 0), (5, 4, 2, 3)) + x277 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) + x277 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x276, (4, 5, 0, 1), (5, 4, 2, 3)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x277, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x277, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x277 - x278 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x278 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x278 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x16, (4, 1, 5, 3), (4, 0, 5, 2)) - x279 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x279 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x279 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x278, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x279, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x279, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x279, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x279, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x279 - x280 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x280 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x280 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x16, (4, 5, 1, 3), (4, 0, 5, 2)) - x281 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x281 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x281 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x280, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x281, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x281, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x281, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x281, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x281 - x282 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x282 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x282 += einsum(x22, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (0, 2, 3, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x282, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x282, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x282 - x283 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x283 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x283 += einsum(x23, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (0, 2, 3, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x283, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x283, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 del x283 - x284 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x284 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x284 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x265, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 - x285 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x285 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x285 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x284, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 del x284 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x285, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x285, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x285 - x286 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x286 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x286 += einsum(x1, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) - x287 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x287 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x287 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x286, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x287, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x287, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 del x287 - x288 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x288 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x288 += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) - x289 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x289 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x289 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x288, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x289, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x289, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 del x289 - x290 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x290 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x290 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x276, (2, 3, 0, 4), (3, 2, 4, 1)) - x291 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x291 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x291 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x290, (2, 3, 0, 4), (2, 3, 1, 4)) del x290 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x291, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x291, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x291 - x292 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x292 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x292 += einsum(f.aa.oo, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) t3new_aaaaaa += einsum(x292, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x292, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x292 - x293 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x293 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x293 += einsum(f.aa.vv, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) t3new_aaaaaa += einsum(x293, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x293, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x293 - x294 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x294 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x294 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oovO, (4, 1, 5, 6), (6, 3, 0, 4, 2, 5)) * -1.0 t3new_aaaaaa += einsum(x294, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x294, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x294, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x294, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x294 - x295 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x295 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x295 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooOV, (4, 1, 5, 6), (5, 6, 0, 4, 2, 3)) t3new_aaaaaa += einsum(x295, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x295, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x295 - x296 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x296 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x296 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (4, 5, 1, 6), (6, 3, 0, 4, 2, 5)) * -1.0 t3new_aaaaaa += einsum(x296, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x296, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x296, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x296, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 del x296 - x297 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x297 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x297 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.oOoV, (1, 4, 5, 6), (4, 6, 0, 5, 2, 3)) t3new_aaaaaa += einsum(x297, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x297, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x297 - x298 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x298 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x298 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.oooV, (4, 0, 5, 6), (1, 6, 5, 4, 2, 3)) * -1.0 t3new_aaaaaa += einsum(x298, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x298, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x298 - x299 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x299 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x299 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 6), (1, 3, 4, 5, 2, 6)) t3new_aaaaaa += einsum(x299, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x299, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x299, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x299, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x299 - x300 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x300 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x300 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (4, 5, 3, 6), (1, 6, 0, 4, 2, 5)) * -1.0 t3new_aaaaaa += einsum(x300, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x300, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x300, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x300, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 del x300 - x301 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x301 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x301 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) t3new_aaaaaa += einsum(x301, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x301, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x301, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x301, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x301, (4, 5, 6, 0, 2, 7), (6, 1, 4, 7, 3, 5)) * 2.0 - x302 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x302 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x302 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.oVvv, (4, 5, 6, 3), (1, 5, 0, 4, 2, 6)) * -1.0 t3new_aaaaaa += einsum(x302, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x302, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x302, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x302, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x302 - x303 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x303 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x303 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.vvvO, (4, 2, 5, 6), (6, 3, 0, 1, 5, 4)) * -1.0 t3new_aaaaaa += einsum(x303, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x303, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x303 - x304 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x304 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x304 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.vvOV, (4, 3, 5, 6), (5, 6, 0, 1, 2, 4)) t3new_aaaaaa += einsum(x304, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x304, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x304 - x305 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x305 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x305 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.vOvV, (4, 5, 3, 6), (5, 6, 0, 1, 2, 4)) t3new_aaaaaa += einsum(x305, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x305, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x305 - x306 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x306 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x306 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) t3new_aaaaaa += einsum(x306, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x306, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x306, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x306, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x306, (4, 5, 6, 0, 7, 2), (6, 1, 4, 7, 3, 5)) * 2.0 - x307 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x307 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x307 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 1, 4, 0, 6)) - t3new_aaaaaa = np.zeros((nocc[0], nocc[0], naocc[0], nvir[0], navir[0], navir[0]), dtype=types[float]) + t3new_aaaaaa = np.zeros((nocc[0], nocc[0], naocc[0], nvir[0], navir[0], navir[0]), dtype=np.float64) t3new_aaaaaa += einsum(x307, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 1, 2)) * 2.0 t3new_aaaaaa += einsum(x307, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 1, 2)) * -2.0 del x307 - x308 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x308 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x308 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 1, 7, 4, 6, 0)) - t3new_aaaaaa = np.zeros((nocc[0], naocc[0], naocc[0], nvir[0], nvir[0], navir[0]), dtype=types[float]) + t3new_aaaaaa = np.zeros((nocc[0], naocc[0], naocc[0], nvir[0], nvir[0], navir[0]), dtype=np.float64) t3new_aaaaaa += einsum(x308, (0, 1, 2, 3, 4, 5), (3, 0, 1, 5, 4, 2)) * 2.0 t3new_aaaaaa += einsum(x308, (0, 1, 2, 3, 4, 5), (3, 0, 1, 4, 5, 2)) * -2.0 del x308 - x309 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x309 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x309 += einsum(v.aaaa.ooOO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 3, 5, 6, 7), (2, 7, 4, 0, 5, 6)) t3new_aaaaaa += einsum(x309, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x309, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x309 - x310 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x310 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x310 += einsum(v.aaaa.oovv, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 6, 2)) t3new_aaaaaa += einsum(x310, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x310, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 t3new_aaaaaa += einsum(x310, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x310, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 del x310 - x311 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x311 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x311 += einsum(v.aaaa.ooVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 7, 3), (5, 2, 4, 0, 6, 7)) t3new_aaaaaa += einsum(x311, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x311, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x311 - x312 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x312 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x312 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) t3new_aaaaaa += einsum(x312, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x312, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x312, (4, 5, 6, 0, 7, 2), (6, 1, 4, 7, 3, 5)) * 6.0 - x313 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x313 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x313 += einsum(v.aaaa.oVoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 7, 3), (5, 1, 4, 0, 6, 7)) t3new_aaaaaa += einsum(x313, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x313, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x313 - x314 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x314 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x314 += einsum(v.aaaa.vOvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 6, 0)) t3new_aaaaaa += einsum(x314, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x314, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x314 - x315 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x315 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x315 += einsum(v.aaaa.vvOO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 6, 0)) t3new_aaaaaa += einsum(x315, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x315, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 del x315 - x316 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x316 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x316 += einsum(v.aaaa.vvVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 7, 0)) t3new_aaaaaa += einsum(x316, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x316, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x316 - x317 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x317 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x317 += einsum(x26, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 0, 3, 4, 5, 6), (3, 6, 1, 2, 4, 5)) del x26 t3new_aaaaaa += einsum(x317, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x317, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x317 - x318 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x318 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x318 += einsum(f.aa.ov, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) - x319 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x319 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x319 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x318, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) del x318 t3new_aaaaaa += einsum(x319, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_aaaaaa += einsum(x319, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x319 - x320 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x320 = np.zeros((navir[0], navir[0]), dtype=np.float64) x320 += einsum(f.aa.oV, (0, 1), t1.aa[np.ix_(soa,sVa)], (0, 2), (1, 2)) t3new_aaaaaa += einsum(x320, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 t3new_abaaba += einsum(x320, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 del x320 - x321 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x321 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) x321 += einsum(f.aa.vO, (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 0), (1, 2)) t3new_aaaaaa += einsum(x321, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -6.0 t3new_abaaba += einsum(x321, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -2.0 del x321 - x322 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x322 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x322 += einsum(f.aa.ov, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (2, 3, 1, 4), (3, 4, 0, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x322, (4, 5, 0, 6), (6, 1, 4, 2, 3, 5)) * -2.0 - x323 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x323 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x323 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x322, (4, 5, 1, 6), (4, 5, 6, 0, 2, 3)) del x322 t3new_aaaaaa += einsum(x323, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x323, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x323 - x324 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x324 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x324 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x56, (0, 4, 5, 6), (1, 3, 4, 5, 2, 6)) del x56 t3new_aaaaaa += einsum(x324, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x324, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x324 - x325 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x325 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x325 += einsum(f.aa.ov, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sva)], (2, 3, 4, 1), (3, 0, 2, 4)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x325, (4, 0, 5, 6), (5, 1, 4, 6, 3, 2)) * 2.0 - x326 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x326 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x326 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x325, (4, 1, 5, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x325 t3new_aaaaaa += einsum(x326, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 @@ -1875,14 +1874,14 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x326, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x326, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x326 - x327 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x327 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x327 += einsum(f.aa.ov, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sVa)], (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x327, (4, 0, 5, 6), (6, 5, 1, 2, 3, 4)) * 4.0 del x327 - x328 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x328 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x328 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oooO, (2, 0, 3, 4), (4, 3, 2, 1)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x328, (4, 0, 5, 6), (5, 1, 4, 6, 3, 2)) - x329 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x329 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x329 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x328, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) * -1.0 del x328 t3new_aaaaaa += einsum(x329, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -1890,10 +1889,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x329, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x329, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x329 - x330 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x330 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x330 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oooO, (2, 3, 0, 4), (4, 2, 3, 1)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x330, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x331 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x331 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x331 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x330, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 del x330 t3new_aaaaaa += einsum(x331, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -1901,10 +1900,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x331, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x331, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x331 - x332 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x332 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x332 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvO, (2, 1, 3, 4), (4, 0, 2, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x332, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) - x333 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x333 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x333 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x332, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 del x332 t3new_aaaaaa += einsum(x333, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -1912,41 +1911,41 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x333, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x333, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x333 - x334 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x334 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x334 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x90, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x90 t3new_aaaaaa += einsum(x334, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x334, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x334 - x335 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x335 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x335 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvO, (4, 2, 5, 6), (6, 3, 0, 1, 4, 5)) * -1.0 - x336 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x336 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x336 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x335, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x335 t3new_aaaaaa += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x336 - x337 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x337 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x337 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 3, 5, 6), (5, 6, 0, 1, 4, 2)) - x338 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x338 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x338 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x337, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x337 t3new_aaaaaa += einsum(x338, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x338, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x338 - x339 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x339 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x339 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oOvV, (2, 3, 1, 4), (3, 4, 0, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x339, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) - x340 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x340 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x340 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x339, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x339 t3new_aaaaaa += einsum(x340, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x340, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x340 - x341 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x341 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x341 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oOvv, (2, 3, 4, 1), (3, 0, 2, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x341, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x342 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x342 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x342 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x341, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 del x341 t3new_aaaaaa += einsum(x342, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -1954,31 +1953,31 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x342, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x342, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x342 - x343 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x343 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x343 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.oOvV, (4, 5, 3, 6), (5, 6, 0, 1, 4, 2)) - x344 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x344 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x344 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x343, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x343 t3new_aaaaaa += einsum(x344, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x344, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x344 - x345 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x345 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x345 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oOvv, (4, 5, 6, 2), (5, 3, 0, 1, 4, 6)) * -1.0 - x346 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x346 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x346 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x345, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x345 t3new_aaaaaa += einsum(x346, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x346, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x346 - x347 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x347 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x347 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oovV, (2, 3, 1, 4), (4, 0, 2, 3)) - x348 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x348 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x348 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x347, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x347 t3new_aaaaaa += einsum(x348, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x348, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x348 - x349 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x349 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x349 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x58, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x58 t3new_aaaaaa += einsum(x349, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -1986,9 +1985,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x349, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x349, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x349 - x350 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x350 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x350 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oooo, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) - x351 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x351 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x351 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x350, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) del x350 t3new_aaaaaa += einsum(x351, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -1996,9 +1995,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x351, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x351, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x351 - x352 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x352 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x352 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.oovV, (4, 5, 3, 6), (1, 6, 0, 4, 5, 2)) * -1.0 - x353 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x353 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x353 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x352, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x352 t3new_aaaaaa += einsum(x353, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -2006,9 +2005,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x353, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x353, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x353 - x354 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x354 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x354 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oovv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x355 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x355 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x355 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x354, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x354 t3new_aaaaaa += einsum(x355, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -2016,24 +2015,24 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x355, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x355, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x355 - x356 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x356 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x356 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovoV, (2, 1, 3, 4), (4, 0, 3, 2)) - x357 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x357 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x357 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x356, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x356 t3new_aaaaaa += einsum(x357, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x357, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x357 - x358 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x358 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x358 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x35, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) t3new_aaaaaa += einsum(x358, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x358, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x358, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x358, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 del x358 - x359 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x359 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x359 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovoV, (4, 3, 5, 6), (1, 6, 0, 5, 4, 2)) * -1.0 - x360 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x360 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x360 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x359, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x359 t3new_aaaaaa += einsum(x360, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -2041,63 +2040,63 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x360, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x360, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x360 - x361 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x361 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x361 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 6, 2), (1, 3, 0, 4, 6, 5)) - x362 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x362 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x362 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x361, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) t3new_aaaaaa += einsum(x362, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x362, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x362, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x362, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x362 - x363 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x363 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x363 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oooO, (2, 0, 3, 4), (4, 1, 3, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x363, (4, 5, 0, 6), (6, 1, 4, 2, 3, 5)) * -1.0 - x364 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x364 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x364 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x363, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) del x363 t3new_aaaaaa += einsum(x364, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x364, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x364 - x365 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x365 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x365 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oooO, (2, 3, 0, 4), (4, 1, 2, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x365, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) - x366 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x366 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x366 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x365, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x365 t3new_aaaaaa += einsum(x366, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x366, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x366 - x367 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x367 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x367 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovvO, (0, 2, 3, 4), (4, 1, 3, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x367, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) - x368 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x368 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x368 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x367, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x367 t3new_aaaaaa += einsum(x368, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x368, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x368 - x369 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x369 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x369 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oOvv, (0, 2, 3, 4), (2, 1, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x369, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -1.0 - x370 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x370 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x370 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x369, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x369 t3new_aaaaaa += einsum(x370, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x370, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x370 - x371 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x371 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x371 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oooo, (2, 3, 4, 0), (1, 2, 3, 4)) - x372 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x372 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x372 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x371, (4, 5, 0, 6), (1, 4, 6, 5, 2, 3)) * -1.0 del x371 t3new_aaaaaa += einsum(x372, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x372, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x372 - x373 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x373 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x373 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oovv, (2, 0, 3, 4), (1, 2, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x373, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) - x374 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x374 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x374 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x373, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x373 t3new_aaaaaa += einsum(x374, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -2105,20 +2104,20 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x374, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x374, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x374 - x375 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x375 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x375 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovov, (2, 3, 0, 4), (1, 2, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x375, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -1.0 - x376 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x376 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x376 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x375, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 t3new_aaaaaa += einsum(x376, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x376, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x376, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x376, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 del x376 - x377 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x377 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x377 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.vvvV, (2, 1, 3, 4), (4, 0, 3, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x377, (4, 5, 2, 6), (5, 1, 0, 6, 3, 4)) - x378 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x378 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x378 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x377, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 del x377 t3new_aaaaaa += einsum(x378, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 @@ -2126,10 +2125,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x378, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x378, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 del x378 - x379 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x379 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x379 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.vvvV, (2, 3, 1, 4), (4, 0, 2, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x379, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -1.0 - x380 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x380 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x380 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x379, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) * -1.0 del x379 t3new_aaaaaa += einsum(x380, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 @@ -2137,9 +2136,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x380, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x380, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 del x380 - x381 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x381 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) x381 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.vvvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x382 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x382 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x382 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x381, (2, 3, 4, 1, 5, 6), (2, 3, 0, 4, 5, 6)) del x381 t3new_aaaaaa += einsum(x382, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -2147,19 +2146,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x382, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x382, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x382 - x383 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x383 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x383 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.oovV, (2, 3, 1, 4), (0, 4, 2, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x383, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 - x384 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x384 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x384 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x383, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x383 t3new_aaaaaa += einsum(x384, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x384, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x384 - x385 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x385 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x385 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x385, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) - x386 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x386 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x386 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x385, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x385 t3new_aaaaaa += einsum(x386, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -2167,54 +2166,54 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x386, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x386, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x386 - x387 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x387 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x387 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovoV, (2, 1, 3, 4), (0, 4, 3, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x387, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) - x388 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x388 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x388 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x387, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x387 t3new_aaaaaa += einsum(x388, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x388, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x388 - x389 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x389 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x389 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x389, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x390 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x390 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x390 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x389, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 t3new_aaaaaa += einsum(x390, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x390, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x390, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x390, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 del x390 - x391 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x391 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x391 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vvvV, (2, 1, 3, 4), (0, 4, 3, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x391, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) * -1.0 - x392 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x392 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x392 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x391, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) del x391 t3new_aaaaaa += einsum(x392, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x392, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x392 - x393 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x393 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x393 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vvvV, (2, 3, 1, 4), (0, 4, 2, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x393, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) - x394 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x394 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x394 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x393, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x393 t3new_aaaaaa += einsum(x394, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x394, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x394 - x395 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x395 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) x395 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x396 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x396 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x396 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x395, (4, 5, 2, 6), (4, 3, 0, 1, 6, 5)) * -1.0 del x395 t3new_aaaaaa += einsum(x396, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x396, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x396 - x397 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x397 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x397 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) - x398 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x398 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x398 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x397, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x397 t3new_aaaaaa += einsum(x398, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 @@ -2222,25 +2221,25 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x398, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x398, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x398 - x399 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x399 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x399 += einsum(v.aabb.oOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 1, 7, 4, 0, 6)) - x400 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x400 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x400 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x399, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x399 t3new_aaaaaa += einsum(x400, (0, 1, 2, 3, 4, 5), (3, 0, 1, 4, 5, 2)) * -2.0 t3new_aaaaaa += einsum(x400, (0, 1, 2, 3, 4, 5), (3, 0, 1, 5, 4, 2)) * 2.0 del x400 - x401 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x401 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x401 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ooov, (2, 0, 3, 4), (1, 2, 3, 4)) - x402 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x402 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x402 += einsum(x401, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 4, 1, 6)) t3new_aaaaaa += einsum(x402, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -2.0 t3new_aaaaaa += einsum(x402, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 2.0 del x402 - x403 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x403 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x403 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oOov, (0, 2, 3, 4), (2, 1, 3, 4)) t3new_aaaaaa += einsum(x403, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 - x404 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x404 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x404 += einsum(x67, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) del x67 t3new_aaaaaa += einsum(x404, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 @@ -2248,31 +2247,31 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x404, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x404, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 del x404 - x405 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x405 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x405 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vVov, (1, 2, 3, 4), (2, 0, 3, 4)) - x406 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x406 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x406 += einsum(x405, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) t3new_aaaaaa += einsum(x406, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 1, 2)) * 2.0 t3new_aaaaaa += einsum(x406, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 1, 2)) * -2.0 del x406 - x407 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x407 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x407 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vvov, (2, 1, 3, 4), (0, 3, 2, 4)) - x408 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x408 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x408 += einsum(x407, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 6, 2)) t3new_aaaaaa += einsum(x408, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 t3new_aaaaaa += einsum(x408, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 del x408 - x409 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x409 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x409 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vVov, (1, 2, 3, 4), (0, 2, 3, 4)) t3new_aaaaaa += einsum(x409, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 - x410 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) - x410 += einsum(x69, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (3, 2, 4, 5, 6, 7), (4, 7, 0, 1, 5, 6)) * -1.0 + x410 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) + x410 += einsum(x69, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 7), (4, 7, 0, 1, 5, 6)) t3new_aaaaaa += einsum(x410, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x410, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x410 - x411 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x411 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x411 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) - x412 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x412 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x412 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x411, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x411 t3new_aaaaaa += einsum(x412, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 @@ -2280,9 +2279,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x412, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x412, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x412 - x413 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x413 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x413 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) - x414 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x414 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x414 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x413, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x413 t3new_aaaaaa += einsum(x414, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 @@ -2290,28 +2289,28 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x414, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x414, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x414 - x415 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x415 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x415 += einsum(x27, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) del x27 t3new_aaaaaa += einsum(x415, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x415, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x415 - x416 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x416 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x416 += einsum(x28, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) del x28 t3new_aaaaaa += einsum(x416, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x416, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x416 - x417 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=types[float]) + x417 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=np.float64) x417 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovOO, (2, 1, 3, 4), (3, 4, 0, 2)) t3new_abaaba += einsum(x417, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 - x418 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x418 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x418 += einsum(x417, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x417 t3new_aaaaaa += einsum(x418, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x418, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x418 - x419 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x419 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x419 += einsum(x77, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) del x77 t3new_aaaaaa += einsum(x419, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 @@ -2319,7 +2318,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x419, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x419, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 del x419 - x420 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x420 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x420 += einsum(x45, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 2, 7), (5, 7, 0, 4, 6, 3)) del x45 t3new_aaaaaa += einsum(x420, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 @@ -2327,188 +2326,188 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x420, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x420, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 del x420 - x421 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x421 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x421 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovVV, (2, 1, 3, 4), (3, 4, 0, 2)) t3new_abaaba += einsum(x421, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 - x422 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x422 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x422 += einsum(x421, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x421 t3new_aaaaaa += einsum(x422, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x422, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x422 - x423 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x423 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x423 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oVvV, (2, 3, 1, 4), (3, 4, 0, 2)) t3new_abaaba += einsum(x423, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 0), (2, 4, 5, 6, 7, 1)) * 2.0 - x424 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x424 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x424 += einsum(x423, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 0), (5, 1, 2, 4, 6, 7)) del x423 t3new_aaaaaa += einsum(x424, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x424, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x424 - x425 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x425 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x425 += einsum(v.aaaa.ovOO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 0, 6)) - x426 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x426 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x426 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x425, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x425 t3new_aaaaaa += einsum(x426, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x426, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x426 - x427 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x427 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x427 += einsum(v.aaaa.oOvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 0, 6)) - x428 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x428 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x428 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x427, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x427 t3new_aaaaaa += einsum(x428, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_aaaaaa += einsum(x428, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x428 - x429 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x429 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) x429 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovOO, (0, 1, 2, 3), (2, 3)) t3new_aaaaaa += einsum(x429, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 t3new_abaaba += einsum(x429, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 del x429 - x430 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x430 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) x430 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oOvO, (0, 2, 1, 3), (2, 3)) t3new_aaaaaa += einsum(x430, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 t3new_abaaba += einsum(x430, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 del x430 - x431 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) - x431 += einsum(v.aaaa.ovvv, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) - x432 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x431 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) + x431 += einsum(v.aaaa.ovvv, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) * -1.0 + x432 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x432 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x431, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x431 t3new_aaaaaa += einsum(x432, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x432, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x432 - x433 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x433 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x433 += einsum(v.aaaa.ovVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 0, 7)) - x434 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x434 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x434 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x433, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x433 t3new_aaaaaa += einsum(x434, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_aaaaaa += einsum(x434, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x434 - x435 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x435 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x435 += einsum(x30, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) del x30 t3new_aaaaaa += einsum(x435, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x435, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x435 - x436 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x436 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x436 += einsum(x29, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 0, 6), (4, 6, 2, 3, 5, 1)) del x29 t3new_aaaaaa += einsum(x436, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x436, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 del x436 - x437 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x437 = np.zeros((navir[0], navir[0]), dtype=np.float64) x437 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovVV, (0, 1, 2, 3), (2, 3)) t3new_aaaaaa += einsum(x437, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 t3new_abaaba += einsum(x437, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 del x437 - x438 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x438 = np.zeros((navir[0], navir[0]), dtype=np.float64) x438 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oVvV, (0, 2, 1, 3), (2, 3)) t3new_aaaaaa += einsum(x438, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 t3new_abaaba += einsum(x438, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 del x438 - x439 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x439 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x439 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oooV, (2, 0, 3, 4), (1, 4, 3, 2)) t3new_abaaba += einsum(x439, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 6, 7, 1), (3, 4, 5, 6, 7, 0)) * -2.0 - x440 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x440 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x440 += einsum(x439, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 7, 1), (5, 0, 4, 3, 6, 7)) del x439 t3new_aaaaaa += einsum(x440, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x440, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x440 - x441 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x441 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x441 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oooV, (2, 3, 0, 4), (1, 4, 2, 3)) t3new_abaaba += einsum(x441, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 - x442 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x442 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x442 += einsum(x441, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 4, 2, 6, 7)) del x441 t3new_aaaaaa += einsum(x442, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x442, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x442 - x443 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x443 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x443 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oVOO, (0, 2, 3, 4), (3, 4, 1, 2)) t3new_aaaaaa += einsum(x443, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 t3new_abaaba += einsum(x443, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 del x443 - x444 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x444 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x444 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oOOV, (0, 2, 3, 4), (3, 2, 1, 4)) t3new_aaaaaa += einsum(x444, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -6.0 t3new_abaaba += einsum(x444, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -2.0 del x444 - x445 = np.zeros((navir[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x445 = np.zeros((navir[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x445 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovvV, (0, 2, 3, 4), (1, 4, 3, 2)) t3new_abaaba += einsum(x445, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 - x446 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x446 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x446 += einsum(x445, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 7, 2)) del x445 t3new_aaaaaa += einsum(x446, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x446, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x446 - x447 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=types[float]) + x447 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=np.float64) x447 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.oovO, (2, 3, 1, 4), (0, 4, 2, 3)) t3new_abaaba += einsum(x447, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 - x448 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x448 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x448 += einsum(x447, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 1, 5, 6, 7), (0, 7, 4, 2, 5, 6)) del x447 t3new_aaaaaa += einsum(x448, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x448, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x448 - x449 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=types[float]) + x449 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=np.float64) x449 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vvvO, (2, 3, 1, 4), (0, 4, 2, 3)) t3new_abaaba += einsum(x449, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -2.0 - x450 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x450 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x450 += einsum(x449, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 6, 2)) del x449 t3new_aaaaaa += einsum(x450, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x450, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 del x450 - x451 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=types[float]) + x451 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=np.float64) x451 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vvvO, (2, 1, 3, 4), (0, 4, 3, 2)) t3new_abaaba += einsum(x451, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 2, 6, 7), (4, 5, 0, 3, 6, 7)) * 2.0 - x452 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x452 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x452 += einsum(x451, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 2, 7), (0, 7, 4, 5, 6, 3)) del x451 t3new_aaaaaa += einsum(x452, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x452, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x452 - x453 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x453 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x453 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vOVV, (1, 2, 3, 4), (0, 2, 3, 4)) t3new_aaaaaa += einsum(x453, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 t3new_abaaba += einsum(x453, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 del x453 - x454 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x454 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x454 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vVOV, (1, 2, 3, 4), (0, 3, 4, 2)) t3new_aaaaaa += einsum(x454, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 6.0 t3new_abaaba += einsum(x454, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 2.0 del x454 - x455 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x455 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x455 += einsum(x31, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) del x31 t3new_aaaaaa += einsum(x455, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x455, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x455 - x456 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x456 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) x456 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OOov, (2, 3, 0, 1), (2, 3)) t3new_aaaaaa += einsum(x456, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 t3new_abaaba += einsum(x456, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 del x456 - x457 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x457 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x457 += einsum(x32, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) del x32 t3new_aaaaaa += einsum(x457, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x457, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x457 - x458 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x458 = np.zeros((navir[0], navir[0]), dtype=np.float64) x458 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.VVov, (2, 3, 0, 1), (2, 3)) t3new_aaaaaa += einsum(x458, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 t3new_abaaba += einsum(x458, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 del x458 - x459 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x459 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x459 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oOov, (4, 5, 1, 3), (5, 0, 4, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x459, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x460 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x460 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x460 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x459, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x459 t3new_aaaaaa += einsum(x460, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 @@ -2516,7 +2515,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x460, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x460, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x460 - x461 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x461 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x461 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x65, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x65 t3new_aaaaaa += einsum(x461, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 @@ -2524,21 +2523,21 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x461, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x461, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 del x461 - x462 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x462 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x462 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 5, 6), (1, 3, 0, 5, 4, 6)) t3new_abaaba += einsum(x462, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_abaaba += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x462, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 4.0 - x463 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x463 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x463 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x462, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 2, 7)) t3new_aaaaaa += einsum(x463, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x463, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x463, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x463, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x463 - x464 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x464 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x464 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (4, 5, 1, 3), (5, 0, 2, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x464, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) - x465 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x465 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x465 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x464, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x464 t3new_aaaaaa += einsum(x465, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 @@ -2546,27 +2545,27 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x465, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x465, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x465 - x466 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x466 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x466 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oOov, (4, 5, 1, 3), (5, 2, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x466, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) - x467 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x467 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x467 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x466, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x466 t3new_aaaaaa += einsum(x467, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x467, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x467 - x468 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x468 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x468 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 3), (2, 0, 4, 5)) - x469 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x469 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x469 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x468, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x468 t3new_aaaaaa += einsum(x469, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x469, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x469 - x470 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x470 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x470 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 1, 3), (2, 0, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x470, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -1.0 - x471 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x471 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x471 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x470, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x470 t3new_aaaaaa += einsum(x471, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 @@ -2574,10 +2573,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x471, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x471, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x471 - x472 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x472 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x472 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x472, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) - x473 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x473 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x473 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x472, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 del x472 t3new_aaaaaa += einsum(x473, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -2585,45 +2584,45 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x473, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x473, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x473 - x474 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x474 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) x474 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 1, 3), (0, 2, 4, 5)) - x475 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x475 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x475 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x474, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 del x474 t3new_aaaaaa += einsum(x475, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x475, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x475 - x476 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x476 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x476 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (4, 5, 1, 3), (0, 5, 2, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x476, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -1.0 - x477 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x477 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x477 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x476, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x476 t3new_aaaaaa += einsum(x477, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x477, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x477 - x478 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x478 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x478 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 3), (0, 2, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x478, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 - x479 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x479 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x479 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x478, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x478 t3new_aaaaaa += einsum(x479, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x479, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x479 - x480 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x480 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x480 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 1, 3), (0, 2, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x480, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) - x481 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x481 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x481 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x480, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x480 t3new_aaaaaa += einsum(x481, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x481, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x481 - x482 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x482 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x482 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovoO, (1, 3, 4, 5), (5, 0, 4, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x482, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 - x483 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x483 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x483 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x482, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x482 t3new_aaaaaa += einsum(x483, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 @@ -2631,19 +2630,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x483, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x483, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x483 - x484 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x484 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x484 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (4, 2, 1, 5), (5, 3, 0, 4)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x484, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 - x485 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x485 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x485 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x484, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x484 t3new_aaaaaa += einsum(x485, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x485, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x485 - x486 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x486 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x486 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovoO, (4, 3, 1, 5), (5, 0, 4, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x486, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 - x487 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x487 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x487 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x486, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x486 t3new_aaaaaa += einsum(x487, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 @@ -2651,33 +2650,33 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x487, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x487, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x487 - x488 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x488 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x488 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (1, 2, 4, 5), (5, 3, 0, 4)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x488, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * 2.0 - x489 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x489 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x489 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x488, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x488 t3new_aaaaaa += einsum(x489, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x489, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x489 - x490 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) - x490 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (0, 4, 1, 5), (5, 3, 2, 4)) - x491 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x490 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) + x490 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (1, 4, 0, 5), (5, 3, 2, 4)) * -1.0 + x491 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x491 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x490, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) t3new_aaaaaa += einsum(x491, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x491, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x491, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x491, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x491 - x492 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) - x492 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovoO, (1, 4, 0, 5), (5, 2, 3, 4)) - x493 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x492 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) + x492 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovoO, (0, 4, 1, 5), (5, 2, 3, 4)) * -1.0 + x493 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x493 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x492, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 del x492 t3new_aaaaaa += einsum(x493, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x493, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x493 - x494 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x494 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x494 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x73, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x73 t3new_aaaaaa += einsum(x494, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 @@ -2685,16 +2684,16 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x494, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x494, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 del x494 - x495 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x495 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x495 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 2), (1, 3, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x495, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 - x496 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x496 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x496 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x495, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x495 t3new_aaaaaa += einsum(x496, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x496, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 del x496 - x497 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x497 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x497 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x71, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x71 t3new_aaaaaa += einsum(x497, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 @@ -2702,28 +2701,28 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x497, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x497, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 del x497 - x498 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x498 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x498 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 2), (1, 3, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x498, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * 2.0 - x499 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x499 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x499 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x498, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x498 t3new_aaaaaa += einsum(x499, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x499, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 del x499 - x500 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x500 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x500 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x501 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) - x501 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x500, (4, 5, 6, 0, 7, 1), (4, 5, 6, 7, 2, 3)) + x501 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) + x501 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x500, (4, 5, 6, 1, 7, 0), (4, 5, 6, 7, 2, 3)) * -1.0 t3new_aaaaaa += einsum(x501, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x501, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x501, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x501, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x501 - x502 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x502 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x502 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x502, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 - x503 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x503 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x503 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x502, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 del x502 t3new_aaaaaa += einsum(x503, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 @@ -2731,18 +2730,18 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x503, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x503, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 del x503 - x504 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x504 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x504 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 1, 5, 2), (3, 0, 4, 5)) * -1.0 - x505 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x505 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x505 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x504, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x504 t3new_aaaaaa += einsum(x505, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x505, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 del x505 - x506 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x506 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x506 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x506, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 - x507 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x507 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x507 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x506, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 del x506 t3new_aaaaaa += einsum(x507, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 @@ -2750,17 +2749,17 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x507, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x507, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 del x507 - x508 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x508 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x508 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 1, 2), (3, 0, 4, 5)) * -1.0 - x509 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x509 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x509 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x508, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x508 t3new_aaaaaa += einsum(x509, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x509, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 del x509 - x510 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x510 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x510 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 1, 0, 5), (3, 4, 2, 5)) - x511 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x511 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x511 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x510, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 t3new_aaaaaa += einsum(x511, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x511, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -2771,10 +2770,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x511, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x511, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 del x511 - x512 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x512 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x512 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (1, 3, 4, 5), (5, 0, 2, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x512, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * 2.0 - x513 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x513 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x513 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x512, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x512 t3new_aaaaaa += einsum(x513, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 @@ -2782,19 +2781,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x513, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x513, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x513 - x514 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x514 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x514 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (4, 2, 3, 5), (1, 5, 0, 4)) - x515 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x515 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x515 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x514, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) t3new_aaaaaa += einsum(x515, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x515, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x515, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x515, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x515 - x516 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x516 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x516 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (1, 4, 3, 5), (5, 0, 2, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x516, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -2.0 - x517 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x517 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x517 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x516, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x516 t3new_aaaaaa += einsum(x517, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 @@ -2802,59 +2801,59 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x517, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x517, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x517 - x518 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x518 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x518 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x518, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 2.0 - x519 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x519 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x519 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x518, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x518 t3new_aaaaaa += einsum(x519, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x519, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x519 - x520 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) - x520 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (4, 2, 3, 5), (5, 0, 1, 4)) * -1.0 - x521 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x520 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) + x520 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (4, 3, 2, 5), (5, 0, 1, 4)) + x521 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x521 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x520, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x520 t3new_aaaaaa += einsum(x521, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x521, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x521 - x522 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x522 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x522 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (0, 3, 4, 5), (1, 5, 2, 4)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x522, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -2.0 - x523 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x523 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x523 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x522, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x522 t3new_aaaaaa += einsum(x523, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x523, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x523 - x524 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x524 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x524 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x301, (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) t3new_aaaaaa += einsum(x524, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 t3new_aaaaaa += einsum(x524, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x524, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 t3new_aaaaaa += einsum(x524, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x524 - x525 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x525 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x525 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x525, (4, 5, 6, 0, 7, 2), (6, 1, 4, 7, 3, 5)) * -2.0 - x526 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x526 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x526 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x525, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 2, 7)) t3new_aaaaaa += einsum(x526, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 t3new_aaaaaa += einsum(x526, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x526, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 t3new_aaaaaa += einsum(x526, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x526 - x527 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x527 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x527 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x527, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) * -2.0 - x528 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x528 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x528 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x527, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) del x527 t3new_aaaaaa += einsum(x528, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 t3new_aaaaaa += einsum(x528, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x528 - x529 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x529 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x529 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x80, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x80 t3new_aaaaaa += einsum(x529, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -2862,18 +2861,18 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x529, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x529, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x529 - x530 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x530 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x530 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x530, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 2.0 - x531 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x531 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x531 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x530, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x530 t3new_aaaaaa += einsum(x531, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 t3new_aaaaaa += einsum(x531, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x531 - x532 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) - x532 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 3, 5, 2), (1, 0, 4, 5)) - x533 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x532 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) + x532 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 2, 5, 3), (1, 0, 4, 5)) * -1.0 + x533 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x533 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x532, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 t3new_aaaaaa += einsum(x533, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x533, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 @@ -2884,10 +2883,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x533, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x533, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x533 - x534 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x534 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x534 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (1, 2, 4, 5), (3, 0, 4, 5)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x534, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -2.0 - x535 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x535 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x535 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x534, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x534 t3new_aaaaaa += einsum(x535, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 @@ -2895,10 +2894,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x535, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 t3new_aaaaaa += einsum(x535, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x535 - x536 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x536 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x536 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (1, 4, 5, 2), (3, 0, 4, 5)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x536, (4, 5, 2, 6), (5, 1, 0, 6, 3, 4)) * 2.0 - x537 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x537 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x537 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x536, (4, 5, 3, 6), (1, 4, 0, 5, 2, 6)) * -1.0 del x536 t3new_aaaaaa += einsum(x537, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 @@ -2906,27 +2905,27 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x537, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 t3new_aaaaaa += einsum(x537, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x537 - x538 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x538 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) x538 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) * -1.0 - x539 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x539 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x539 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x538, (4, 5, 2, 6), (4, 3, 0, 1, 5, 6)) * -1.0 del x538 t3new_aaaaaa += einsum(x539, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 t3new_aaaaaa += einsum(x539, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x539 - x540 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x540 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) x540 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 3, 4, 5), (1, 2, 4, 5)) * -1.0 - x541 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x541 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x541 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x540, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 del x540 t3new_aaaaaa += einsum(x541, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 t3new_aaaaaa += einsum(x541, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x541 - x542 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x542 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x542 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) t3new_abaaba += einsum(x542, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_abaaba += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x542, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 4.0 - x543 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x543 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x543 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x542, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) del x542 t3new_aaaaaa += einsum(x543, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -2934,10 +2933,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x543, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x543, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x543 - x544 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x544 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x544 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) t3new_abaaba += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x544, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -4.0 - x545 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x545 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x545 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x544, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) del x544 t3new_aaaaaa += einsum(x545, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -2945,17 +2944,17 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x545, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x545, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x545 - x546 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x546 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x546 += einsum(x34, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x34 t3new_aaaaaa += einsum(x546, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x546, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x546 - x547 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x547 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x547 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 6, 3)) t3new_abaaba += einsum(x547, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_abaaba += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x547, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 12.0 - x548 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x548 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x548 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x547, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) del x547 t3new_aaaaaa += einsum(x548, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 @@ -2963,100 +2962,100 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x548, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x548, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x548 - x549 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x549 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x549 += einsum(x105, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) del x105 t3new_aaaaaa += einsum(x549, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_aaaaaa += einsum(x549, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x549 - x550 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x550 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x550 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (2, 0, 4, 5)) - x551 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x551 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x551 += einsum(x550, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) t3new_aaaaaa += einsum(x551, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 2.0 t3new_aaaaaa += einsum(x551, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -2.0 del x551 - x552 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x552 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x552 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (2, 0, 4, 5)) - x553 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x553 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x553 += einsum(x552, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) t3new_aaaaaa += einsum(x553, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * -2.0 t3new_aaaaaa += einsum(x553, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * 2.0 del x553 - x554 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x554 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x554 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oVov, (4, 5, 1, 3), (2, 5, 0, 4)) t3new_abaaba += einsum(x554, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 - x555 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x555 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x555 += einsum(x554, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x554 t3new_aaaaaa += einsum(x555, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x555, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x555 - x556 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x556 = np.zeros((navir[0], navir[0]), dtype=np.float64) x556 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oVov, (0, 4, 1, 3), (2, 4)) t3new_aaaaaa += einsum(x556, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 t3new_abaaba += einsum(x556, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 del x556 - x557 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x557 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x557 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) - x558 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x558 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x558 += einsum(x557, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) t3new_aaaaaa += einsum(x558, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 2.0 t3new_aaaaaa += einsum(x558, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -2.0 del x558 - x559 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x559 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x559 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) - x560 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x560 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x560 += einsum(x559, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) t3new_aaaaaa += einsum(x560, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 t3new_aaaaaa += einsum(x560, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 del x560 - x561 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x561 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) x561 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vOov, (2, 4, 1, 3), (0, 4)) t3new_aaaaaa += einsum(x561, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 t3new_abaaba += einsum(x561, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 del x561 - x562 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=types[float]) + x562 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=np.float64) x562 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vOov, (4, 5, 1, 3), (0, 5, 2, 4)) t3new_abaaba += einsum(x562, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 2.0 - x563 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x563 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x563 += einsum(x562, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x562 t3new_aaaaaa += einsum(x563, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x563, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x563 - x564 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x564 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x564 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (0, 2, 4, 5)) t3new_aaaaaa += einsum(x564, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 - x565 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x565 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x565 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (0, 2, 4, 5)) t3new_aaaaaa += einsum(x565, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 - x566 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x566 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x566 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 1, 3), (0, 4, 2, 5)) t3new_aaaaaa += einsum(x566, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 t3new_abaaba += einsum(x566, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 del x566 - x567 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x567 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x567 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 2, 4, 5, 3, 6), (4, 6, 5, 1)) t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x567, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * 4.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x567, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -2.0 - x568 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x568 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x568 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x567, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x567 t3new_aaaaaa += einsum(x568, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 t3new_aaaaaa += einsum(x568, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x568 - x569 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x569 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x569 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 1, 3, 6), (5, 6, 4, 0)) t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x569, (4, 5, 6, 0), (6, 4, 1, 2, 3, 5)) * 4.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x569, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 - x570 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x570 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x570 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x569, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x569 t3new_aaaaaa += einsum(x570, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x570, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 del x570 - x571 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x571 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x571 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x306, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) del x306 t3new_aaaaaa += einsum(x571, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 @@ -3064,24 +3063,24 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x571, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 t3new_aaaaaa += einsum(x571, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 del x571 - x572 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x572 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x572 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x88, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 t3new_aaaaaa += einsum(x572, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 t3new_aaaaaa += einsum(x572, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x572, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 t3new_aaaaaa += einsum(x572, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 del x572 - x573 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x573 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x573 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovov, (1, 2, 4, 5), (3, 0, 4, 5)) * -1.0 - x574 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x574 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x574 += einsum(x573, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) t3new_aaaaaa += einsum(x574, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 4.0 t3new_aaaaaa += einsum(x574, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -4.0 del x574 - x575 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x575 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x575 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 1, 5, 3, 6), (6, 4, 5, 0)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x575, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -2.0 - x576 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x576 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x576 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x575, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x575 t3new_aaaaaa += einsum(x576, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 @@ -3089,54 +3088,54 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x576, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 t3new_aaaaaa += einsum(x576, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 del x576 - x577 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x577 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x577 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovov, (0, 3, 4, 5), (1, 4, 2, 5)) * -1.0 - x578 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x578 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x578 += einsum(x577, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) t3new_aaaaaa += einsum(x578, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 4.0 t3new_aaaaaa += einsum(x578, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -4.0 del x578 - x579 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x579 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x579 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.vOov, (2, 4, 5, 6), (1, 4, 3, 0, 5, 6)) - x580 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x580 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x580 += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x579, (6, 2, 7, 8, 1, 4), (6, 7, 5, 8, 0, 3)) del x579 t3new_aaaaaa += einsum(x580, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 4.0 t3new_aaaaaa += einsum(x580, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -4.0 del x580 - x581 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x581 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x581 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x88, (4, 5, 0, 6), (1, 4, 3, 5, 2, 6)) del x88 t3new_aaaaaa += einsum(x581, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 4.0 t3new_aaaaaa += einsum(x581, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -4.0 del x581 - x582 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x582 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x582 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 5), (1, 3, 4, 5)) t3new_aaaaaa += einsum(x582, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 4.0 - x583 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x583 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x583 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (0, 2, 4, 5, 1, 6), (4, 6, 5, 3)) * -1.0 - x584 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x584 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x584 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x583, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) t3new_aaaaaa += einsum(x584, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x584, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x584, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x584, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x584 - x585 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x585 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x585 += einsum(x113, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 t3new_aaaaaa += einsum(x585, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 t3new_aaaaaa += einsum(x585, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 del x585 - x586 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x586 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x586 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 3, 1, 6), (5, 6, 4, 0)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x586, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -6.0 - x587 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x587 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x587 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x586, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x586 t3new_aaaaaa += einsum(x587, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 t3new_aaaaaa += einsum(x587, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 del x587 - x588 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x588 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x588 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x312, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) del x312 t3new_aaaaaa += einsum(x588, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 @@ -3144,17 +3143,17 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x588, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -12.0 t3new_aaaaaa += einsum(x588, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 12.0 del x588 - x589 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x589 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x589 += einsum(x37, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 t3new_aaaaaa += einsum(x589, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x589, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x589, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x589, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x589 - x590 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x590 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x590 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x590, (4, 5, 6, 0, 7, 2), (6, 1, 4, 7, 3, 5)) * -6.0 - x591 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x591 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x591 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x590, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) del x590 t3new_aaaaaa += einsum(x591, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 @@ -3162,28 +3161,28 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x591, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 12.0 t3new_aaaaaa += einsum(x591, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 del x591 - x592 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x592 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x592 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) * -1.0 t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x592, (4, 5, 6, 7, 0, 1), (7, 6, 4, 2, 3, 5)) * -6.0 - x593 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x593 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x593 += einsum(x111, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 t3new_aaaaaa += einsum(x593, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x593, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x593, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x593, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x593 - x594 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x594 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) x594 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (0, 2, 4, 5, 6, 3), (4, 5, 6, 1)) * -1.0 - t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x594, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * 6.0 + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x594, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * -6.0 del x594 - x595 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x595 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) x595 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (0, 2, 4, 5, 6, 3), (4, 5, 6, 1)) * -1.0 - t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x595, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * 6.0 + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x595, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * -6.0 del x595 - x596 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x596 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x596 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 1, 3), (5, 4, 0, 6)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x596, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 6.0 - x597 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x597 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x597 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x596, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x596 t3new_aaaaaa += einsum(x597, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 @@ -3191,47 +3190,47 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x597, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 12.0 t3new_aaaaaa += einsum(x597, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 del x597 - x598 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x598 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x598 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (1, 2, 4, 5), (3, 5, 0, 4)) * -1.0 t3new_abaaba += einsum(x598, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 4.0 - x599 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x599 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x599 += einsum(x598, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x598 t3new_aaaaaa += einsum(x599, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 t3new_aaaaaa += einsum(x599, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 del x599 - x600 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x600 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x600 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (4, 2, 1, 5), (3, 5, 0, 4)) * -1.0 t3new_abaaba += einsum(x600, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -4.0 - x601 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x601 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x601 += einsum(x600, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x600 t3new_aaaaaa += einsum(x601, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 t3new_aaaaaa += einsum(x601, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 12.0 del x601 - x602 = np.zeros((navir[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x602 = np.zeros((navir[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x602 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (1, 4, 0, 5), (3, 5, 2, 4)) * -1.0 t3new_abaaba += einsum(x602, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 - x603 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x603 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x603 += einsum(x602, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) del x602 t3new_aaaaaa += einsum(x603, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x603, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x603 - x604 = np.zeros((navir[0], navir[0]), dtype=types[float]) - x604 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (0, 2, 1, 4), (3, 4)) + x604 = np.zeros((navir[0], navir[0]), dtype=np.float64) + x604 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (1, 2, 0, 4), (3, 4)) * -1.0 t3new_aaaaaa += einsum(x604, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 t3new_abaaba += einsum(x604, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 del x604 - x605 = np.zeros((navir[0], navir[0]), dtype=types[float]) - x605 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (0, 2, 1, 4), (3, 4)) + x605 = np.zeros((navir[0], navir[0]), dtype=np.float64) + x605 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (1, 2, 0, 4), (3, 4)) * -1.0 t3new_aaaaaa += einsum(x605, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 t3new_abaaba += einsum(x605, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 del x605 - x606 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x606 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x606 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 3, 5, 2, 6), (6, 4, 5, 1)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x606, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * 3.0 - x607 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x607 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x607 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x606, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x606 t3new_aaaaaa += einsum(x607, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 @@ -3239,19 +3238,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x607, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 t3new_aaaaaa += einsum(x607, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x607 - x608 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=types[float]) + x608 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=np.float64) x608 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (4, 2, 3, 5), (1, 5, 0, 4)) - x609 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x609 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x609 += einsum(x608, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) t3new_aaaaaa += einsum(x609, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 t3new_aaaaaa += einsum(x609, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 t3new_aaaaaa += einsum(x609, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 t3new_aaaaaa += einsum(x609, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 del x609 - x610 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x610 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x610 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x610, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -3.0 - x611 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x611 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x611 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x610, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x610 t3new_aaaaaa += einsum(x611, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 @@ -3259,75 +3258,75 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x611, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x611, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x611 - x612 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) - x612 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 3, 2, 1, 6), (6, 4, 5, 0)) + x612 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) + x612 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 3, 1, 2, 6), (6, 4, 5, 0)) * -1.0 t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x612, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * -12.0 del x612 - x613 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=types[float]) + x613 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=np.float64) x613 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (0, 3, 4, 5), (1, 5, 2, 4)) * -1.0 t3new_abaaba += einsum(x613, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 4.0 - x614 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x614 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x614 += einsum(x613, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x613 t3new_aaaaaa += einsum(x614, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 t3new_aaaaaa += einsum(x614, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 del x614 - x615 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x615 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) x615 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (0, 2, 3, 4), (1, 4)) - x616 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x616 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x616 += einsum(x615, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) t3new_aaaaaa += einsum(x616, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x616, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x616 - x617 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=types[float]) + x617 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=np.float64) x617 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 t3new_abaaba += einsum(x617, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -4.0 - x618 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x618 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x618 += einsum(x617, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x617 t3new_aaaaaa += einsum(x618, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 t3new_aaaaaa += einsum(x618, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 del x618 - x619 = np.zeros((naocc[0], naocc[0], navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x619 = np.zeros((naocc[0], naocc[0], navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x619 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) t3new_abaaba += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x619, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * -2.0 - x620 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x620 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x620 += einsum(t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (0, 1, 2, 3, 4, 5), x619, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) del x619 t3new_aaaaaa += einsum(x620, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x620, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x620 - x621 = np.zeros((naocc[0], naocc[0], navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x621 = np.zeros((naocc[0], naocc[0], navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x621 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (1, 6, 3, 5, 0, 4)) t3new_abaaba += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x621, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * 2.0 - x622 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x622 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x622 += einsum(t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (0, 1, 2, 3, 4, 5), x621, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) del x621 t3new_aaaaaa += einsum(x622, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x622, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x622 - x623 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x623 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x623 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x94, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x94 t3new_aaaaaa += einsum(x623, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 t3new_aaaaaa += einsum(x623, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 del x623 - x624 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x624 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x624 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) t3new_aaaaaa += einsum(x624, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 12.0 t3new_abaaba += einsum(x624, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 4.0 del x624 - x625 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x625 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x625 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (1, 5, 3, 4)) t3new_aaaaaa += einsum(x625, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -12.0 t3new_abaaba += einsum(x625, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -4.0 del x625 - x626 = np.zeros((naocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x626 = np.zeros((naocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x626 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovoO, (2, 1, 3, 4), (4, 0, 3, 2)) - x627 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x627 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x627 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x626, (2, 3, 4, 0), (2, 3, 4, 1)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x627, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) - x628 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x628 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x628 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x627, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x627 t3new_aaaaaa += einsum(x628, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -3335,11 +3334,11 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x628, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x628, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x628 - x629 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x629 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x629 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x626, (2, 3, 0, 4), (2, 3, 4, 1)) del x626 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x629, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x630 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x630 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x630 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x629, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x629 t3new_aaaaaa += einsum(x630, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -3347,20 +3346,20 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x630, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x630, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x630 - x631 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x631 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x631 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (4, 2, 5, 6), (6, 3, 0, 1, 5, 4)) * -1.0 - x632 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x632 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x632 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x631, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x631 - x633 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x633 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x633 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x632, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x632 t3new_aaaaaa += einsum(x633, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x633, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x633 - x634 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x634 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x634 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x69, (4, 5, 6, 0), (1, 3, 4, 6, 5, 2)) - x635 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x635 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x635 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x634, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x634 t3new_aaaaaa += einsum(x635, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -3368,10 +3367,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x635, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x635, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x635 - x636 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x636 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x636 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x69, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) del x69 - x637 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x637 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x637 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x636, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x636 t3new_aaaaaa += einsum(x637, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -3379,10 +3378,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x637, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x637, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x637 - x638 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x638 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x638 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x500, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x500 - x639 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x639 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x639 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x638, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x638 t3new_aaaaaa += einsum(x639, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -3390,17 +3389,17 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x639, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x639, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x639 - x640 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x640 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x640 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvV, (2, 1, 3, 4), (4, 0, 2, 3)) - x641 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x641 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x641 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x640, (2, 3, 4, 1), (2, 0, 3, 4)) - x642 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x642 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x642 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x641, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x641 t3new_aaaaaa += einsum(x642, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x642, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x642 - x643 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x643 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x643 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x117, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x117 t3new_aaaaaa += einsum(x643, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -3408,9 +3407,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x643, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x643, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x643 - x644 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x644 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x644 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x640, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 - x645 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x645 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x645 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x644, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x644 t3new_aaaaaa += einsum(x645, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -3418,11 +3417,11 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x645, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x645, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x645 - x646 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x646 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x646 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvV, (2, 3, 1, 4), (4, 0, 2, 3)) - x647 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x647 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x647 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x646, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 - x648 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x648 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x648 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x647, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x647 t3new_aaaaaa += einsum(x648, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -3430,10 +3429,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x648, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x648, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x648 - x649 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x649 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x649 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x301, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) del x301 - x650 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x650 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x650 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x649, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x649 t3new_aaaaaa += einsum(x650, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -3441,10 +3440,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x650, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x650, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x650 - x651 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x651 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x651 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x525, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) del x525 - x652 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x652 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x652 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x651, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x651 t3new_aaaaaa += einsum(x652, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -3452,67 +3451,67 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x652, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x652, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x652 - x653 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x653 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) x653 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovoO, (0, 2, 3, 4), (4, 1, 3, 2)) - x654 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x654 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x654 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x653, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x654, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 - x655 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x655 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x655 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x654, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x654 t3new_aaaaaa += einsum(x655, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x655, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x655 - x656 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x656 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) x656 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovoO, (2, 3, 0, 4), (4, 1, 2, 3)) - x657 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x657 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x657 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x656, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x657, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) - x658 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x658 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x658 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x657, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x657 t3new_aaaaaa += einsum(x658, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x658, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x658 - x659 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x659 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x659 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x656, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x660 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x660 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x660 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x659, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x659 t3new_aaaaaa += einsum(x660, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x660, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x660 - x661 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x661 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x661 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x653, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x662 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x662 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x662 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x661, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x661 t3new_aaaaaa += einsum(x662, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x662, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x662 - x663 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x663 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x663 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ooov, (2, 0, 3, 4), (1, 2, 3, 4)) - x664 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x664 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x664 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x663, (2, 3, 4, 1), (2, 0, 3, 4)) - x665 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x665 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x665 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x664, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x664 t3new_aaaaaa += einsum(x665, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x665, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x665 - x666 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x666 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x666 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ooov, (2, 3, 0, 4), (1, 2, 3, 4)) - x667 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x667 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x667 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x666, (2, 3, 4, 1), (2, 0, 4, 3)) - x668 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x668 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x668 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x667, (4, 5, 0, 6), (1, 4, 5, 6, 2, 3)) * -1.0 del x667 t3new_aaaaaa += einsum(x668, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x668, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x668 - x669 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x669 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x669 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x666, (4, 5, 6, 3), (1, 4, 0, 6, 5, 2)) * -1.0 - x670 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x670 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x670 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x669, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x669 t3new_aaaaaa += einsum(x670, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -3520,9 +3519,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x670, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x670, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x670 - x671 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x671 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x671 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x663, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - x672 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x672 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x672 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x671, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x671 t3new_aaaaaa += einsum(x672, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -3530,12 +3529,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x672, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x672, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x672 - x673 = np.zeros((navir[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x673 = np.zeros((navir[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) x673 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovvv, (0, 2, 3, 4), (1, 2, 3, 4)) - x674 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x674 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x674 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x673, (2, 1, 3, 4), (2, 0, 4, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x674, (4, 5, 2, 6), (5, 1, 0, 6, 3, 4)) - x675 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x675 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x675 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x674, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 del x674 t3new_aaaaaa += einsum(x675, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -3543,11 +3542,11 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x675, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x675, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x675 - x676 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x676 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x676 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x673, (2, 3, 4, 1), (2, 0, 3, 4)) del x673 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x676, (4, 5, 2, 6), (5, 1, 0, 6, 3, 4)) * -1.0 - x677 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x677 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x677 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x676, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 del x676 t3new_aaaaaa += einsum(x677, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -3555,12 +3554,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x677, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x677, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x677 - x678 = np.zeros((naocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x678 = np.zeros((naocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x678 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - x679 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x679 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x679 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x678, (2, 3, 0, 4), (2, 3, 4, 1)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x679, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) - x680 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x680 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x680 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x679, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 del x679 t3new_aaaaaa += einsum(x680, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -3568,11 +3567,11 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x680, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x680, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x680 - x681 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x681 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x681 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x678, (2, 3, 4, 0), (2, 4, 3, 1)) del x678 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x681, (4, 0, 5, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x682 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x682 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x682 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x681, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) * -1.0 del x681 t3new_aaaaaa += einsum(x682, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -3580,34 +3579,34 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x682, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x682, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x682 - x683 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x683 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) x683 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvV, (2, 3, 1, 4), (0, 4, 2, 3)) - x684 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x684 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x684 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x683, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x684, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 - x685 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x685 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x685 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x684, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x684 t3new_aaaaaa += einsum(x685, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x685, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x685 - x686 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x686 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) x686 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvV, (2, 1, 3, 4), (0, 4, 2, 3)) - x687 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x687 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x687 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x686, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x687, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) - x688 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x688 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x688 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x687, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x687 t3new_aaaaaa += einsum(x688, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x688, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x688 - x689 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x689 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x689 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x690 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x690 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x690 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x689, (2, 3, 1, 4), (2, 0, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x690, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) - x691 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x691 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x691 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x690, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 del x690 t3new_aaaaaa += einsum(x691, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -3615,12 +3614,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x691, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x691, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x691 - x692 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x692 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x692 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) - x693 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x693 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x693 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x692, (2, 3, 4, 1), (2, 0, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x693, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x694 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x694 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x694 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x693, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 del x693 t3new_aaaaaa += einsum(x694, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -3628,79 +3627,79 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x694, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x694, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x694 - x695 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x695 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x695 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x686, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x696 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x696 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x696 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x695, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x695 t3new_aaaaaa += einsum(x696, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x696, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x696 - x697 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x697 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x697 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x683, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x698 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x698 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x698 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x697, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x697 t3new_aaaaaa += einsum(x698, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x698, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x698 - x699 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x699 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x699 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x692, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 del x692 - x700 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x700 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x700 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x699, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x699 t3new_aaaaaa += einsum(x700, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x700, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x700 - x701 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x701 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x701 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x689, (4, 5, 2, 6), (4, 3, 0, 1, 5, 6)) * -1.0 del x689 - x702 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x702 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x702 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x701, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x701 t3new_aaaaaa += einsum(x702, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x702, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x702 - x703 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x703 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x703 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ooov, (4, 0, 5, 3), (2, 1, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x703, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 - x704 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x704 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x704 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x703, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x703 t3new_aaaaaa += einsum(x704, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x704, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x704 - x705 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x705 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x705 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ooov, (4, 5, 0, 3), (2, 1, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x705, (4, 5, 0, 6), (6, 1, 4, 2, 3, 5)) - x706 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x706 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x706 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x705, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) del x705 t3new_aaaaaa += einsum(x706, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x706, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x706 - x707 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x707 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x707 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ovvv, (0, 3, 4, 5), (2, 1, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x707, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) * -1.0 - x708 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x708 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x708 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x707, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) del x707 t3new_aaaaaa += einsum(x708, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x708, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x708 - x709 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x709 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x709 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ovvv, (0, 4, 5, 3), (2, 1, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x709, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) - x710 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x710 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x710 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x709, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) del x709 t3new_aaaaaa += einsum(x710, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x710, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x710 - x711 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x711 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x711 += einsum(x33, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) - x712 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x712 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x712 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x711, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x711 t3new_aaaaaa += einsum(x712, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -3708,38 +3707,38 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x712, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x712, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x712 - x713 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x713 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x713 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ovov, (0, 2, 3, 4), (1, 3, 2, 4)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x713, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 - x714 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x714 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x714 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x713, (2, 3, 1, 4), (2, 0, 3, 4)) - x715 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x715 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x715 += einsum(x714, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) t3new_aaaaaa += einsum(x715, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * -2.0 t3new_aaaaaa += einsum(x715, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * 2.0 del x715 - x716 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x716 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x716 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.ovov, (2, 1, 3, 4), (0, 2, 3, 4)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x716, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - x717 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x717 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x717 += einsum(x716, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (0, 5, 7, 4, 1, 6)) - x718 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x718 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x718 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x717, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x717 t3new_aaaaaa += einsum(x718, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 t3new_aaaaaa += einsum(x718, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 del x718 - x719 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x719 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x719 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aabb.ovov, (0, 3, 4, 5), (2, 1, 4, 5)) t3new_aaaaaa += einsum(x719, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 - x720 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x720 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x720 += einsum(x121, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 t3new_aaaaaa += einsum(x720, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 t3new_aaaaaa += einsum(x720, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 del x720 - x721 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x721 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x721 += einsum(x35, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) - x722 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x722 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x722 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x721, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x721 t3new_aaaaaa += einsum(x722, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 @@ -3747,9 +3746,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x722, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 t3new_aaaaaa += einsum(x722, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x722 - x723 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x723 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x723 += einsum(x35, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) - x724 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x724 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x724 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x723, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x723 t3new_aaaaaa += einsum(x724, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 @@ -3757,190 +3756,190 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x724, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x724, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x724 - x725 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x725 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x725 += einsum(x39, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x39 t3new_aaaaaa += einsum(x725, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x725, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x725 - x726 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x726 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x726 += einsum(x40, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x40 t3new_aaaaaa += einsum(x726, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x726, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x726 - x727 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x727 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x727 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x592, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x592 t3new_aaaaaa += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x727, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 6.0 del x727 - x728 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x728 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x728 += einsum(x11, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - x729 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x729 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x729 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x728, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x728 t3new_aaaaaa += einsum(x729, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_aaaaaa += einsum(x729, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x729 - x730 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x730 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x730 += einsum(x12, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - x731 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x731 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x731 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x730, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x730 t3new_aaaaaa += einsum(x731, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x731, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x731 - x732 = np.zeros((navir[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x732 = np.zeros((navir[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) x732 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovoV, (0, 2, 3, 4), (1, 4, 3, 2)) - x733 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x733 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x733 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x732, (2, 3, 4, 1), (2, 3, 0, 4)) del x732 t3new_abaaba += einsum(x733, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 - x734 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x734 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x734 += einsum(x733, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x733 t3new_aaaaaa += einsum(x734, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x734, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x734 - x735 = np.zeros((navir[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x735 = np.zeros((navir[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) x735 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) - x736 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x736 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x736 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x735, (2, 3, 4, 1), (2, 3, 0, 4)) del x735 t3new_abaaba += einsum(x736, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 - x737 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x737 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x737 += einsum(x736, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x736 t3new_aaaaaa += einsum(x737, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x737, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x737 - x738 = np.zeros((navir[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x738 = np.zeros((navir[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) x738 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) - x739 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x739 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x739 += einsum(x738, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) - x740 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x740 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x740 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x739, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x739 t3new_aaaaaa += einsum(x740, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x740, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x740 - x741 = np.zeros((navir[0], nocc[0]), dtype=types[float]) + x741 = np.zeros((navir[0], nocc[0]), dtype=np.float64) x741 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovoV, (0, 1, 2, 3), (3, 2)) - x742 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x742 = np.zeros((navir[0], navir[0]), dtype=np.float64) x742 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x741, (2, 0), (1, 2)) del x741 t3new_aaaaaa += einsum(x742, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 t3new_abaaba += einsum(x742, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 del x742 - x743 = np.zeros((navir[0], nocc[0]), dtype=types[float]) + x743 = np.zeros((navir[0], nocc[0]), dtype=np.float64) x743 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovoV, (2, 1, 0, 3), (3, 2)) - x744 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x744 = np.zeros((navir[0], navir[0]), dtype=np.float64) x744 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x743, (2, 0), (1, 2)) del x743 t3new_aaaaaa += einsum(x744, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 t3new_abaaba += einsum(x744, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 del x744 - x745 = np.zeros((naocc[0], naocc[0], nocc[0], nvir[0]), dtype=types[float]) + x745 = np.zeros((naocc[0], naocc[0], nocc[0], nvir[0]), dtype=np.float64) x745 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) - x746 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=types[float]) + x746 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=np.float64) x746 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x745, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(x746, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) - x747 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x747 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x747 += einsum(x746, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x746 t3new_aaaaaa += einsum(x747, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 t3new_aaaaaa += einsum(x747, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 del x747 - x748 = np.zeros((naocc[0], naocc[0], nocc[0], nvir[0]), dtype=types[float]) + x748 = np.zeros((naocc[0], naocc[0], nocc[0], nvir[0]), dtype=np.float64) x748 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvO, (2, 1, 3, 4), (0, 4, 2, 3)) - x749 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=types[float]) + x749 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=np.float64) x749 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x748, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(x749, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -1.0 - x750 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x750 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x750 += einsum(x749, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x749 t3new_aaaaaa += einsum(x750, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 t3new_aaaaaa += einsum(x750, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 3.0 del x750 - x751 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x751 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x751 += einsum(x748, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) - x752 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x752 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x752 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x751, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x751 t3new_aaaaaa += einsum(x752, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_aaaaaa += einsum(x752, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x752 - x753 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x753 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x753 += einsum(x745, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) - x754 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x754 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x754 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x753, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x753 t3new_aaaaaa += einsum(x754, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x754, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x754 - x755 = np.zeros((naocc[0], nvir[0]), dtype=types[float]) + x755 = np.zeros((naocc[0], nvir[0]), dtype=np.float64) x755 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvO, (0, 1, 2, 3), (3, 2)) - x756 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x756 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) x756 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), x755, (2, 1), (0, 2)) del x755 t3new_aaaaaa += einsum(x756, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 t3new_abaaba += einsum(x756, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 del x756 - x757 = np.zeros((naocc[0], nvir[0]), dtype=types[float]) + x757 = np.zeros((naocc[0], nvir[0]), dtype=np.float64) x757 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvO, (0, 2, 1, 3), (3, 2)) - x758 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x758 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) x758 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), x757, (2, 1), (0, 2)) del x757 t3new_aaaaaa += einsum(x758, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 t3new_abaaba += einsum(x758, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 del x758 - x759 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0]), dtype=types[float]) + x759 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0]), dtype=np.float64) x759 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovOV, (2, 1, 3, 4), (0, 3, 4, 2)) - x760 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x760 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x760 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x759, (2, 3, 4, 0), (2, 3, 1, 4)) del x759 t3new_aaaaaa += einsum(x760, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 t3new_abaaba += einsum(x760, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 del x760 - x761 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0]), dtype=types[float]) + x761 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0]), dtype=np.float64) x761 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.oVvO, (2, 3, 1, 4), (0, 4, 3, 2)) - x762 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=types[float]) + x762 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x762 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x761, (2, 3, 4, 0), (2, 3, 1, 4)) del x761 t3new_aaaaaa += einsum(x762, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 t3new_abaaba += einsum(x762, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 del x762 - x763 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x763 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x763 += einsum(x41, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x41 t3new_aaaaaa += einsum(x763, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x763, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x763 - x764 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x764 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x764 += einsum(x15, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - x765 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x765 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x765 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x764, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x764 t3new_aaaaaa += einsum(x765, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_aaaaaa += einsum(x765, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x765 - x766 = np.zeros((navir[0], nocc[0]), dtype=types[float]) + x766 = np.zeros((navir[0], nocc[0]), dtype=np.float64) x766 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oVov, (2, 3, 0, 1), (3, 2)) - x767 = np.zeros((navir[0], navir[0]), dtype=types[float]) + x767 = np.zeros((navir[0], navir[0]), dtype=np.float64) x767 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x766, (2, 0), (1, 2)) del x766 t3new_aaaaaa += einsum(x767, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 t3new_abaaba += einsum(x767, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 del x767 - x768 = np.zeros((naocc[0], nvir[0]), dtype=types[float]) + x768 = np.zeros((naocc[0], nvir[0]), dtype=np.float64) x768 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vOov, (2, 3, 0, 1), (3, 2)) - x769 = np.zeros((naocc[0], naocc[0]), dtype=types[float]) + x769 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) x769 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), x768, (2, 1), (0, 2)) del x768 t3new_aaaaaa += einsum(x769, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 t3new_abaaba += einsum(x769, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 del x769 - x770 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x770 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x770 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x119, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x119 t3new_aaaaaa += einsum(x770, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 @@ -3948,12 +3947,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x770, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x770, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 del x770 - x771 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x771 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x771 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x771, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 - x772 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x772 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x772 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x771, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) - x773 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x773 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x773 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x772, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x772 t3new_aaaaaa += einsum(x773, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 @@ -3961,10 +3960,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x773, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x773, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x773 - x774 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x774 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x774 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 1, 5, 3), (4, 0, 2, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x774, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -1.0 - x775 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x775 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x775 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x774, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x774 t3new_aaaaaa += einsum(x775, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 @@ -3972,10 +3971,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x775, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x775, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x775 - x776 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x776 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x776 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x716, (4, 5, 1, 3), (4, 0, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x776, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x777 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x777 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x777 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x776, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x776 t3new_aaaaaa += einsum(x777, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 @@ -3983,19 +3982,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x777, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x777, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x777 - x778 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x778 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x778 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 3), (2, 0, 4, 5)) - x779 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x779 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x779 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x778, (2, 3, 4, 1), (2, 0, 3, 4)) - x780 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x780 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x780 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x779, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x779 t3new_aaaaaa += einsum(x780, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x780, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x780 - x781 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x781 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x781 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x778, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - x782 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x782 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x782 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x781, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x781 t3new_aaaaaa += einsum(x782, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 @@ -4003,19 +4002,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x782, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x782, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x782 - x783 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x783 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x783 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x716, (4, 5, 1, 3), (4, 2, 0, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x783, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) - x784 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x784 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x784 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x783, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x783 t3new_aaaaaa += einsum(x784, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x784, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x784 - x785 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x785 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x785 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x33, (4, 5, 1, 3), (0, 4, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x785, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) - x786 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x786 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x786 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x785, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x785 t3new_aaaaaa += einsum(x786, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -4023,46 +4022,46 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x786, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x786, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x786 - x787 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x787 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x787 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) - x788 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x788 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x788 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x787, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 del x787 - x789 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x789 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x789 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x788, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x788 t3new_aaaaaa += einsum(x789, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x789, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x789 - x790 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x790 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x790 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 1, 5, 3), (0, 4, 2, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x790, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) - x791 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x791 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x791 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x790, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x790 t3new_aaaaaa += einsum(x791, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x791, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x791 - x792 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x792 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) x792 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 3), (0, 2, 4, 5)) - x793 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x793 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x793 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x792, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x793, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 - x794 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x794 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x794 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x793, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x793 t3new_aaaaaa += einsum(x794, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x794, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x794 - x795 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x795 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x795 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x792, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x796 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x796 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x796 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x795, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x795 t3new_aaaaaa += einsum(x796, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x796, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x796 - x797 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x797 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x797 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x125, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x125 t3new_aaaaaa += einsum(x797, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 @@ -4070,18 +4069,18 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x797, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x797, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 del x797 - x798 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x798 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) x798 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 2), (1, 3, 4, 5)) - x799 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x799 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x799 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x798, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x799, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 - x800 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x800 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x800 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x799, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x799 t3new_aaaaaa += einsum(x800, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x800, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 del x800 - x801 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x801 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x801 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x123, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x123 t3new_aaaaaa += einsum(x801, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 @@ -4089,30 +4088,30 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x801, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x801, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 del x801 - x802 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x802 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) x802 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 0, 5), (1, 3, 4, 5)) - x803 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x803 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x803 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x802, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x803, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * 2.0 - x804 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x804 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x804 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x803, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x803 t3new_aaaaaa += einsum(x804, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x804, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 del x804 - x805 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x805 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x805 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x361, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) - x806 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x806 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x806 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x805, (4, 5, 6, 7, 1, 0), (4, 5, 6, 7, 2, 3)) * -1.0 t3new_aaaaaa += einsum(x806, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x806, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x806, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x806, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x806 - x807 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x807 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x807 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x35, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x807, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 - x808 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x808 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x808 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x807, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x807 t3new_aaaaaa += einsum(x808, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 @@ -4120,20 +4119,20 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x808, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x808, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 del x808 - x809 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x809 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x809 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 1, 5), (3, 0, 4, 5)) * -1.0 - x810 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x810 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x810 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x809, (2, 3, 4, 1), (2, 0, 3, 4)) - x811 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x811 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x811 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x810, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x810 t3new_aaaaaa += einsum(x811, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x811, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 del x811 - x812 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x812 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x812 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x35, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x812, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 - x813 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x813 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x813 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x812, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x812 t3new_aaaaaa += einsum(x813, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 @@ -4141,19 +4140,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x813, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x813, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 del x813 - x814 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x814 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x814 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 1, 2), (3, 0, 4, 5)) * -1.0 - x815 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x815 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x815 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x814, (2, 3, 4, 1), (2, 0, 3, 4)) - x816 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x816 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x816 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x815, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x815 t3new_aaaaaa += einsum(x816, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x816, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 del x816 - x817 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x817 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x817 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x35, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 - x818 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x818 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x818 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x817, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) t3new_aaaaaa += einsum(x818, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x818, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -4164,9 +4163,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x818, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x818, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 del x818 - x819 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x819 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x819 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x361, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) - x820 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x820 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x820 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x819, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x819 t3new_aaaaaa += einsum(x820, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 @@ -4174,9 +4173,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x820, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x820, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x820 - x821 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x821 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x821 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x361, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) - x822 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x822 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x822 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x821, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x821 t3new_aaaaaa += einsum(x822, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 @@ -4184,18 +4183,18 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x822, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x822, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x822 - x823 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x823 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x823 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x798, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x824 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x824 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x824 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x823, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x823 t3new_aaaaaa += einsum(x824, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 t3new_aaaaaa += einsum(x824, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x824 - x825 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x825 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x825 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x113, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) * -1.0 del x113 - x826 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x826 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x826 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x825, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x825 t3new_aaaaaa += einsum(x826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -4203,20 +4202,20 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x826 - x827 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x827 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x827 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x802, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x828 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x828 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x828 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x827, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x827 t3new_aaaaaa += einsum(x828, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 t3new_aaaaaa += einsum(x828, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x828 - x829 = np.zeros((naocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x829 = np.zeros((naocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x829 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 5, 3), (1, 0, 4, 5)) * -1.0 - x830 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x830 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x830 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x829, (2, 3, 4, 0), (2, 3, 4, 1)) del x829 - x831 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x831 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x831 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x830, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) t3new_aaaaaa += einsum(x831, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x831, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 @@ -4227,9 +4226,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x831, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x831, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x831 - x832 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x832 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x832 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x809, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - x833 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x833 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x833 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x832, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x832 t3new_aaaaaa += einsum(x833, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 @@ -4237,9 +4236,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x833, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x833, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x833 - x834 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x834 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x834 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x814, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - x835 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x835 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x835 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x834, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x834 t3new_aaaaaa += einsum(x835, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 @@ -4247,62 +4246,62 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x835, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x835, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x835 - x836 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x836 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x836 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 3), (1, 4, 2, 5)) * -1.0 - x837 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x837 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x837 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x836, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 del x836 - x838 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x838 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x838 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x837, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x837 t3new_aaaaaa += einsum(x838, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 t3new_aaaaaa += einsum(x838, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x838 - x839 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x839 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x839 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 3, 0, 5), (1, 4, 2, 5)) * -1.0 - x840 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x840 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x840 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x839, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 del x839 - x841 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x841 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x841 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x840, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x840 t3new_aaaaaa += einsum(x841, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 t3new_aaaaaa += einsum(x841, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x841 - x842 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x842 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x842 += einsum(x11, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (2, 3, 1, 4), (3, 4, 2, 0)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x842, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 - x843 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x843 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x843 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x842, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x842 t3new_aaaaaa += einsum(x843, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x843, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x843 - x844 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x844 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x844 += einsum(x12, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (2, 3, 1, 4), (3, 4, 2, 0)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x844, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * 2.0 - x845 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x845 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x845 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x844, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x844 t3new_aaaaaa += einsum(x845, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x845, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x845 - x846 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x846 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x846 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x131, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x131 t3new_aaaaaa += einsum(x846, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x846, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x846 - x847 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x847 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x847 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x133, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x133 t3new_aaaaaa += einsum(x847, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x847, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x847 - x848 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x848 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x848 += einsum(x11, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sva)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x848, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 - x849 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x849 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x849 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x848, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x848 t3new_aaaaaa += einsum(x849, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 @@ -4310,10 +4309,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x849, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x849, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x849 - x850 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x850 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x850 += einsum(x12, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sva)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x850, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 - x851 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x851 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x851 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x850, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x850 t3new_aaaaaa += einsum(x851, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 @@ -4321,18 +4320,18 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x851, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x851, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x851 - x852 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x852 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x852 += einsum(x11, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sVa)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x852, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * 4.0 del x852 - x853 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x853 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x853 += einsum(x12, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sVa)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x853, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * -4.0 del x853 - x854 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x854 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x854 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x375, (4, 1, 5, 3), (4, 0, 2, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x854, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * 2.0 - x855 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x855 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x855 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x854, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x854 t3new_aaaaaa += einsum(x855, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 @@ -4340,19 +4339,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x855, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x855, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x855 - x856 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x856 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x856 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x375, (4, 5, 2, 3), (1, 4, 0, 5)) * -1.0 - x857 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x857 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x857 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x856, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 t3new_aaaaaa += einsum(x857, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x857, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x857, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x857, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x857 - x858 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x858 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x858 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x375, (4, 1, 3, 5), (4, 0, 2, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x858, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -2.0 - x859 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x859 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x859 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x858, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x858 t3new_aaaaaa += einsum(x859, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 @@ -4360,36 +4359,36 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x859, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x859, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x859 - x860 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x860 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x860 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x375, (4, 0, 3, 5), (1, 4, 2, 5)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x860, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 2.0 - x861 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x861 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x861 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x860, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x860 t3new_aaaaaa += einsum(x861, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x861, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x861 - x862 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x862 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x862 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x375, (4, 5, 2, 3), (4, 0, 1, 5)) - x863 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x863 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x863 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x862, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) del x862 t3new_aaaaaa += einsum(x863, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x863, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x863 - x864 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x864 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x864 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x375, (4, 0, 5, 3), (1, 4, 2, 5)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x864, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -2.0 - x865 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x865 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x865 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x864, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x864 t3new_aaaaaa += einsum(x865, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x865, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x865 - x866 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x866 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x866 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x389, (4, 5, 1, 3), (4, 0, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x866, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 - x867 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x867 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x867 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x866, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x866 t3new_aaaaaa += einsum(x867, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 @@ -4397,19 +4396,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x867, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x867, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x867 - x868 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x868 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x868 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x389, (4, 1, 5, 2), (4, 3, 0, 5)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x868, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * 2.0 - x869 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x869 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x869 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x868, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x868 t3new_aaaaaa += einsum(x869, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x869, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x869 - x870 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x870 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x870 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x389, (4, 1, 5, 3), (4, 0, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x870, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 - x871 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x871 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x871 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x870, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x870 t3new_aaaaaa += einsum(x871, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 @@ -4417,51 +4416,51 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x871, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x871, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x871 - x872 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x872 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x872 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x389, (4, 5, 1, 2), (4, 3, 0, 5)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x872, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 - x873 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x873 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x873 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x872, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x872 t3new_aaaaaa += einsum(x873, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x873, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x873 - x874 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=types[float]) + x874 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x874 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x389, (4, 0, 1, 5), (4, 3, 2, 5)) * -1.0 - x875 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x875 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x875 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x874, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 t3new_aaaaaa += einsum(x875, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x875, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x875, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x875, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x875 - x876 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=types[float]) + x876 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) x876 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x389, (4, 0, 1, 5), (4, 2, 3, 5)) - x877 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x877 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x877 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x876, (4, 5, 6, 2), (4, 3, 0, 1, 6, 5)) * -1.0 del x876 t3new_aaaaaa += einsum(x877, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x877, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x877 - x878 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x878 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x878 += einsum(x15, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (2, 3, 1, 4), (3, 4, 2, 0)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x878, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 - x879 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x879 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x879 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x878, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x878 t3new_aaaaaa += einsum(x879, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x879, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x879 - x880 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x880 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x880 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x136, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x136 t3new_aaaaaa += einsum(x880, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_aaaaaa += einsum(x880, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x880 - x881 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x881 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x881 += einsum(x15, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sva)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x881, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 - x882 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x882 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x882 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x881, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x881 t3new_aaaaaa += einsum(x882, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 @@ -4469,14 +4468,14 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x882, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_aaaaaa += einsum(x882, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x882 - x883 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x883 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x883 += einsum(x15, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sVa)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x883, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * 4.0 del x883 - x884 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x884 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x884 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x121, (4, 5, 0, 6), (1, 3, 5, 4, 6, 2)) del x121 - x885 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x885 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x885 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x884, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x884 t3new_aaaaaa += einsum(x885, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -4484,10 +4483,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x885, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x885, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x885 - x886 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x886 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x886 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x805, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x805 - x887 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x887 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x887 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x886, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x886 t3new_aaaaaa += einsum(x887, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -4495,19 +4494,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x887, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x887, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x887 - x888 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x888 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x888 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x375, (2, 3, 1, 4), (2, 0, 3, 4)) - x889 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x889 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x889 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x888, (2, 3, 4, 1), (2, 3, 0, 4)) - x890 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x890 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x890 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x889, (4, 5, 6, 0), (1, 4, 6, 5, 2, 3)) * -1.0 del x889 t3new_aaaaaa += einsum(x890, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x890, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x890 - x891 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x891 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x891 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x888, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 - x892 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x892 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x892 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x891, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x891 t3new_aaaaaa += einsum(x892, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -4515,11 +4514,11 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x892, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x892, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x892 - x893 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x893 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x893 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x375, (2, 3, 4, 1), (2, 0, 3, 4)) - x894 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x894 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x894 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x893, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 - x895 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x895 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x895 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x894, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x894 t3new_aaaaaa += einsum(x895, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -4527,12 +4526,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x895, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x895, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x895 - x896 = np.zeros((naocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x896 = np.zeros((naocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x896 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x389, (2, 3, 4, 1), (2, 0, 4, 3)) - x897 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x897 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x897 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x896, (2, 3, 4, 0), (2, 3, 4, 1)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x897, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) - x898 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x898 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x898 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x897, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x897 t3new_aaaaaa += einsum(x898, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -4540,11 +4539,11 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x898, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x898, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x898 - x899 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x899 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x899 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x896, (2, 3, 0, 4), (2, 3, 4, 1)) del x896 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x899, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x900 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x900 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x900 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x899, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x899 t3new_aaaaaa += einsum(x900, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -4552,3728 +4551,3728 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x900, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x900, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x900 - x901 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=types[float]) + x901 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x901 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x389, (4, 5, 6, 2), (4, 3, 0, 1, 6, 5)) * -1.0 - x902 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x902 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x902 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x901, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x901 - x903 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x903 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x903 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x902, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x902 t3new_aaaaaa += einsum(x903, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x903, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x903 - x904 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x904 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) x904 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ovov, (4, 3, 0, 5), (2, 1, 4, 5)) - x905 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x905 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x905 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x904, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x905, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 - x906 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x906 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x906 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x905, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x905 t3new_aaaaaa += einsum(x906, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x906, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x906 - x907 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=types[float]) + x907 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) x907 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ovov, (4, 5, 0, 3), (2, 1, 4, 5)) - x908 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=types[float]) + x908 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x908 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x907, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x908, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) - x909 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x909 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x909 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x908, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x908 t3new_aaaaaa += einsum(x909, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x909, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x909 - x910 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x910 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x910 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x904, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x911 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x911 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x911 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x910, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x910 t3new_aaaaaa += einsum(x911, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_aaaaaa += einsum(x911, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x911 - x912 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x912 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x912 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x907, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x913 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x913 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x913 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x912, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x912 t3new_aaaaaa += einsum(x913, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x913, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x913 - x914 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x914 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x914 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 5, 6), (1, 3, 0, 5, 4, 6)) t3new_babbab += einsum(x914, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x914, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * 2.0 - x915 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x915 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x915 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 5, 6, 2), (1, 3, 4, 0, 5, 6)) t3new_babbab += einsum(x915, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_babbab += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x915, (4, 5, 1, 6, 3, 7), (6, 0, 4, 7, 2, 5)) * 4.0 - x916 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x916 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x916 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) t3new_babbab += einsum(x916, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x916, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * 4.0 del x916 - x917 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x917 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x917 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) t3new_babbab += einsum(x917, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_babbab += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x917, (4, 5, 1, 6, 3, 7), (6, 0, 4, 7, 2, 5)) * 4.0 - x918 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x918 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x918 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) t3new_babbab += einsum(x918, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_babbab += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x918, (4, 5, 1, 6, 3, 7), (6, 0, 4, 7, 2, 5)) * 12.0 - x919 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x919 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x919 += einsum(f.aa.ov, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 3, 2, 5)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x919, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x919 - x920 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x920 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x920 += einsum(f.bb.ov, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 0, 2, 5)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x920, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x920 - x921 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x921 = np.zeros((navir[1], navir[1]), dtype=np.float64) x921 += einsum(f.bb.oV, (0, 1), t1.bb[np.ix_(sob,sVb)], (0, 2), (1, 2)) t3new_babbab += einsum(x921, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 t3new_bbbbbb += einsum(x921, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 del x921 - x922 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x922 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x922 += einsum(f.bb.vO, (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 0), (1, 2)) t3new_babbab += einsum(x922, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -2.0 t3new_bbbbbb += einsum(x922, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -6.0 del x922 - x923 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x923 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x923 += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(soa,sOb,sva,sVb)], (2, 3, 1, 4), (3, 4, 0, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x923, (4, 5, 0, 6), (1, 6, 4, 3, 2, 5)) * -1.0 del x923 - x924 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x924 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x924 += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(soa,sob,sva,sVb)], (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x924, (4, 0, 5, 6), (6, 5, 1, 3, 2, 4)) * -1.0 del x924 - x925 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x925 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x925 += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 1, 4), (3, 0, 2, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x925, (4, 0, 5, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x925 - x926 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x926 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x926 += einsum(f.bb.ov, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (2, 3, 1, 4), (3, 4, 0, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x926, (4, 5, 1, 6), (6, 0, 4, 3, 2, 5)) * -2.0 - x927 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x927 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x927 += einsum(f.bb.ov, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,svb)], (2, 3, 4, 1), (3, 0, 2, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x927, (4, 1, 5, 6), (5, 0, 4, 6, 2, 3)) * 2.0 - x928 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x928 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x928 += einsum(f.bb.ov, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x928, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x928 - x929 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x929 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x929 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovvO, (2, 1, 3, 4), (4, 0, 2, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x929, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) del x929 - x930 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x930 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x930 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovvO, (4, 2, 5, 6), (6, 3, 0, 4, 1, 5)) * -1.0 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x930, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x930 - x931 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x931 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x931 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovOV, (4, 2, 5, 6), (5, 6, 0, 4, 1, 3)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x931, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x931 - x932 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x932 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x932 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoV, (2, 1, 3, 4), (4, 0, 2, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x932, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) del x932 - x933 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x933 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x933 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovoV, (4, 2, 5, 6), (1, 6, 0, 4, 5, 3)) * -1.0 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x933, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x933 - x934 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x934 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x934 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x934, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - x935 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x935 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x935 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.oooO, (2, 0, 3, 4), (4, 2, 3, 1)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x935, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x935 - x936 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x936 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x936 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.oooo, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x936, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x936 - x937 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x937 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x937 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.oovV, (4, 5, 3, 6), (1, 6, 4, 5, 0, 2)) * -1.0 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x937, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x937 - x938 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x938 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x938 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.oovv, (4, 5, 6, 2), (1, 3, 4, 5, 0, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x938, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x938 - x939 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x939 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x939 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vvoO, (2, 1, 3, 4), (4, 0, 3, 2)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x939, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 del x939 - x940 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x940 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x940 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vvvV, (2, 1, 3, 4), (4, 0, 2, 3)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x940, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 2.0 del x940 - x941 = np.zeros((naocc[1], navir[1], nocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x941 = np.zeros((naocc[1], navir[1], nocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) x941 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.vvvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x941, (2, 3, 4, 1, 5, 6), (4, 0, 2, 6, 5, 3)) * 2.0 del x941 - x942 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x942 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x942 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oooO, (2, 0, 3, 4), (4, 3, 2, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x942, (4, 1, 5, 6), (5, 0, 4, 6, 2, 3)) - x943 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x943 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x943 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oooO, (2, 3, 0, 4), (4, 2, 3, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x943, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x944 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x944 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x944 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oooO, (2, 3, 0, 4), (4, 2, 3, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x944, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x944 - x945 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x945 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x945 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvO, (2, 1, 3, 4), (4, 0, 2, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x945, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) - x946 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x946 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x946 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (5, 6, 0, 1, 4, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x946, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 t3new_abaaba += einsum(t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (0, 1, 2, 3, 4, 5), x946, (2, 5, 6, 7, 0, 8), (6, 7, 1, 8, 3, 4)) * -1.0 del x946 - x947 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x947 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x947 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oOvV, (2, 3, 1, 4), (3, 4, 0, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x947, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) - x948 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x948 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x948 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oOvv, (2, 3, 4, 1), (3, 0, 2, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x948, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x949 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x949 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x949 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oOvV, (4, 5, 3, 6), (5, 6, 0, 1, 4, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x949, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x949 - x950 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x950 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x950 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oovV, (2, 3, 1, 4), (4, 2, 3, 0)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x950, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) del x950 - x951 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x951 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x951 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.oooo, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x951, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) del x951 - x952 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x952 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x952 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.bbbb.oovV, (4, 5, 3, 6), (1, 6, 0, 4, 5, 2)) * -1.0 t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x952, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) del x952 - x953 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x953 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x953 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.bbbb.ovoV, (4, 3, 5, 6), (1, 6, 0, 5, 4, 2)) * -1.0 t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x953, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x953 - x954 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x954 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x954 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oooO, (2, 0, 3, 4), (4, 1, 3, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x954, (4, 5, 1, 6), (6, 0, 4, 3, 2, 5)) * -1.0 - x955 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x955 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x955 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oooO, (2, 3, 0, 4), (4, 1, 2, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x955, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) - x956 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x956 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x956 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.oooO, (2, 3, 0, 4), (4, 1, 2, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x956, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) del x956 - x957 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x957 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x957 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovvO, (0, 2, 3, 4), (4, 1, 3, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x957, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) - x958 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x958 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x958 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oOvv, (0, 2, 3, 4), (2, 1, 3, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x958, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * -1.0 - x959 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x959 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x959 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.oooo, (2, 3, 4, 0), (1, 2, 3, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x959, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 del x959 - x960 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x960 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x960 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oovv, (2, 0, 3, 4), (1, 2, 3, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x960, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) - x961 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x961 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x961 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovov, (2, 3, 0, 4), (1, 2, 3, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x961, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 - x962 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x962 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x962 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.vvoO, (4, 2, 5, 6), (6, 3, 0, 1, 5, 4)) * -1.0 t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x962, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x962 - x963 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x963 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x963 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.vvvV, (2, 1, 3, 4), (4, 0, 3, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x963, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) - x964 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x964 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x964 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.vvvV, (2, 3, 1, 4), (4, 0, 2, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x964, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 - x965 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x965 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x965 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vvvV, (2, 3, 1, 4), (4, 0, 2, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x965, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 del x965 - x966 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x966 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) x966 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.vvvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x966, (2, 3, 4, 5, 1, 6), (0, 4, 2, 6, 5, 3)) del x966 - x967 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x967 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x967 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.vvoo, (4, 2, 5, 6), (1, 3, 0, 5, 6, 4)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x967, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x967 - x968 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x968 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) x968 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.vvoO, (2, 3, 0, 4), (4, 1, 2, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x968, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * -1.0 del x968 - x969 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x969 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x969 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.vvoo, (2, 3, 4, 0), (1, 4, 2, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x969, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) del x969 - x970 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x970 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x970 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.oovV, (2, 3, 1, 4), (0, 4, 2, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x970, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x971 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x971 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x971 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.oovV, (2, 3, 1, 4), (0, 4, 2, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x971, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 del x971 - x972 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x972 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x972 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x972, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) - x973 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x973 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x973 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x973, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) del x973 - x974 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x974 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x974 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovoV, (2, 1, 3, 4), (0, 4, 3, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x974, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) - x975 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x975 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x975 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x975, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x976 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x976 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x976 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vvvV, (2, 1, 3, 4), (0, 4, 3, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x976, (4, 5, 3, 6), (1, 0, 4, 6, 2, 5)) * -1.0 - x977 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x977 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x977 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vvvV, (2, 3, 1, 4), (0, 4, 2, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x977, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) - x978 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x978 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) x978 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.vvvV, (2, 3, 1, 4), (0, 4, 2, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x978, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) del x978 - x979 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x979 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) x979 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x979, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -1.0 del x979 - x980 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x980 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x980 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 6, 2), (1, 3, 4, 0, 6, 5)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x980, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 - x981 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x981 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x981 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.ovov, (2, 3, 0, 4), (1, 2, 3, 4)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x981, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 - x982 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x982 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x982 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x982, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - x983 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x983 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x983 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x983, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x983 - x984 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x984 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x984 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 2, 4, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x984, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x984 - x985 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=types[float]) + x985 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=np.float64) x985 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovOO, (2, 1, 3, 4), (3, 4, 0, 2)) t3new_babbab += einsum(x985, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 del x985 - x986 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x986 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x986 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovVV, (2, 1, 3, 4), (3, 4, 0, 2)) t3new_babbab += einsum(x986, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 del x986 - x987 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x987 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x987 += einsum(v.aabb.ovOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 6, 1, 7), (2, 7, 5, 0, 4, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x987, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x987 - x988 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x988 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x988 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovOO, (0, 1, 2, 3), (2, 3)) t3new_babbab += einsum(x988, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 t3new_bbbbbb += einsum(x988, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 del x988 - x989 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x989 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x989 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 1, 7), (5, 7, 4, 0, 2, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x989, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x989 - x990 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x990 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x990 += einsum(v.aabb.ovvv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 1, 7), (6, 7, 5, 0, 4, 2)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x990, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x990 - x991 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x991 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x991 += einsum(v.aabb.ovVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 7, 1, 3), (6, 2, 5, 0, 4, 7)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x991, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x991 - x992 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x992 = np.zeros((navir[1], navir[1]), dtype=np.float64) x992 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovVV, (0, 1, 2, 3), (2, 3)) t3new_babbab += einsum(x992, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 t3new_bbbbbb += einsum(x992, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 del x992 - x993 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x993 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x993 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x993, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -6.0 del x993 - x994 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x994 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x994 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.OVoO, (2, 3, 0, 4), (2, 4, 3, 1)) t3new_babbab += einsum(x994, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * -2.0 del x994 - x995 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x995 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x995 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.OVvV, (2, 3, 1, 4), (2, 0, 3, 4)) t3new_babbab += einsum(x995, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * 2.0 del x995 - x996 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=types[float]) + x996 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) x996 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVoO, (2, 3, 0, 4), (2, 4, 3, 1)) t3new_babbab += einsum(x996, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * 2.0 del x996 - x997 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=types[float]) + x997 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) x997 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.OVvv, (2, 3, 4, 1), (2, 0, 3, 4)) t3new_babbab += einsum(x997, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * -2.0 del x997 - x998 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=types[float]) + x998 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) x998 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVvV, (2, 3, 1, 4), (2, 3, 4, 0)) t3new_babbab += einsum(x998, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -2.0 del x998 - x999 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=types[float]) + x999 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) x999 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.OVoo, (2, 3, 4, 0), (2, 3, 1, 4)) t3new_babbab += einsum(x999, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * 2.0 del x999 - x1000 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x1000 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x1000 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVvv, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(x1000, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 del x1000 - x1001 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x1001 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x1001 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVoo, (2, 3, 4, 0), (2, 3, 4, 1)) t3new_babbab += einsum(x1001, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 del x1001 - x1002 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1002 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1002 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1002, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1002 - x1003 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1003 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1003 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1003, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1003 - x1004 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1004 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1004 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1004, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1004 - x1005 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1005 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=np.float64) x1005 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovOO, (2, 1, 3, 4), (3, 4, 0, 2)) t3new_babbab += einsum(x1005, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 - x1006 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1006 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1006 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovVV, (2, 1, 3, 4), (3, 4, 0, 2)) t3new_babbab += einsum(x1006, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 - x1007 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1007 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1007 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oVvV, (2, 3, 1, 4), (3, 4, 0, 2)) t3new_babbab += einsum(x1007, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 0), (2, 4, 5, 6, 7, 1)) * 2.0 - x1008 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1008 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1008 += einsum(v.bbbb.ovOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 1, 6, 7), (2, 7, 5, 4, 0, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1008, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1008 - x1009 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1009 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1009 += einsum(v.bbbb.oOvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 2, 6, 7), (1, 7, 5, 4, 0, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1009, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1009 - x1010 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x1010 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x1010 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovOO, (0, 1, 2, 3), (2, 3)) t3new_babbab += einsum(x1010, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 t3new_bbbbbb += einsum(x1010, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 del x1010 - x1011 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x1011 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x1011 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oOvO, (0, 2, 1, 3), (2, 3)) t3new_babbab += einsum(x1011, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 t3new_bbbbbb += einsum(x1011, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 del x1011 - x1012 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1012 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1012 += einsum(v.bbbb.ovVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 1, 7, 3), (6, 2, 5, 4, 0, 7)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1012, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1012 - x1013 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x1013 = np.zeros((navir[1], navir[1]), dtype=np.float64) x1013 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovVV, (0, 1, 2, 3), (2, 3)) t3new_babbab += einsum(x1013, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 t3new_bbbbbb += einsum(x1013, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 del x1013 - x1014 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x1014 = np.zeros((navir[1], navir[1]), dtype=np.float64) x1014 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oVvV, (0, 2, 1, 3), (2, 3)) t3new_babbab += einsum(x1014, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 t3new_bbbbbb += einsum(x1014, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 del x1014 - x1015 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1015 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1015 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oooV, (2, 0, 3, 4), (1, 4, 3, 2)) t3new_babbab += einsum(x1015, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 6, 7, 1), (3, 4, 5, 6, 7, 0)) * -2.0 - x1016 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1016 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1016 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oooV, (2, 3, 0, 4), (1, 4, 2, 3)) t3new_babbab += einsum(x1016, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 - x1017 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1017 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1017 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.oooV, (2, 3, 0, 4), (1, 4, 2, 3)) t3new_babbab += einsum(x1017, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 del x1017 - x1018 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1018 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1018 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oVOO, (0, 2, 3, 4), (3, 4, 1, 2)) t3new_babbab += einsum(x1018, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 t3new_bbbbbb += einsum(x1018, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 del x1018 - x1019 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1019 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1019 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oOOV, (0, 2, 3, 4), (3, 2, 1, 4)) t3new_babbab += einsum(x1019, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -2.0 t3new_bbbbbb += einsum(x1019, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -6.0 del x1019 - x1020 = np.zeros((navir[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1020 = np.zeros((navir[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1020 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovvV, (0, 2, 3, 4), (1, 4, 3, 2)) t3new_babbab += einsum(x1020, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 - x1021 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1021 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1021 += einsum(v.aabb.vvov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 1, 7), (6, 7, 5, 4, 2, 0)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1021, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1021 - x1022 = np.zeros((navir[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1022 = np.zeros((navir[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) x1022 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.vvoV, (2, 3, 0, 4), (1, 4, 2, 3)) t3new_babbab += einsum(x1022, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -2.0 del x1022 - x1023 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1023 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=np.float64) x1023 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.oovO, (2, 3, 1, 4), (0, 4, 2, 3)) t3new_babbab += einsum(x1023, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 - x1024 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=types[float]) + x1024 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=np.float64) x1024 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.oovO, (2, 3, 1, 4), (0, 4, 2, 3)) t3new_babbab += einsum(x1024, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 del x1024 - x1025 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1025 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=np.float64) x1025 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vvvO, (2, 3, 1, 4), (0, 4, 2, 3)) t3new_babbab += einsum(x1025, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -2.0 - x1026 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1026 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=np.float64) x1026 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vvvO, (2, 1, 3, 4), (0, 4, 3, 2)) t3new_babbab += einsum(x1026, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 2, 6, 7), (4, 5, 0, 3, 6, 7)) * 2.0 - x1027 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1027 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1027 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vOVV, (1, 2, 3, 4), (0, 2, 3, 4)) t3new_babbab += einsum(x1027, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 t3new_bbbbbb += einsum(x1027, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 del x1027 - x1028 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1028 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1028 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vVOV, (1, 2, 3, 4), (0, 3, 4, 2)) t3new_babbab += einsum(x1028, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 2.0 t3new_bbbbbb += einsum(x1028, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 6.0 del x1028 - x1029 = np.zeros((naocc[1], naocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1029 = np.zeros((naocc[1], naocc[1], nvir[0], nvir[0]), dtype=np.float64) x1029 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.vvvO, (2, 3, 1, 4), (0, 4, 2, 3)) t3new_babbab += einsum(x1029, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 del x1029 - x1030 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1030 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) x1030 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoO, (0, 4, 1, 5), (5, 3, 2, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1030, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * -1.0 del x1030 - x1031 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1031 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1031 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoO, (0, 2, 4, 5), (5, 3, 1, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1031, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x1032 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1032 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1032 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoO, (4, 2, 1, 5), (5, 0, 4, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1032, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x1032 - x1033 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1033 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1033 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoO, (4, 2, 1, 5), (5, 3, 0, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1033, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 del x1033 - x1034 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1034 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1034 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoO, (0, 2, 4, 5), (5, 1, 4, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1034, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x1035 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1035 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) x1035 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoO, (0, 4, 1, 5), (5, 2, 4, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1035, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -1.0 del x1035 - x1036 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1036 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1036 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 2), (1, 3, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1036, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 del x1036 - x1037 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1037 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1037 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 2), (1, 3, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1037, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) del x1037 - x1038 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1038 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1038 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 2), (1, 4, 5, 3)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1038, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x1038 - x1039 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1039 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1039 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 2), (3, 4, 5, 1)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1039, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) del x1039 - x1040 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1040 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1040 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 2), (1, 4, 5, 3)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1040, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) del x1040 - x1041 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1041 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1041 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 2), (3, 4, 5, 1)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1041, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 del x1041 - x1042 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1042 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1042 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 5), (1, 3, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1042, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x1043 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1043 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1043 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1043, (4, 5, 6, 0, 7, 1), (7, 6, 4, 3, 2, 5)) - x1044 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1044 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1044 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 5), (1, 4, 5, 3)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1044, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x1045 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1045 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1045 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 2, 5, 1), (3, 0, 4, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1045, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) del x1045 - x1046 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1046 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x1046 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 4, 5, 1), (3, 5, 2, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1046, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) del x1046 - x1047 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1047 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) x1047 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1047, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) del x1047 - x1048 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1048 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1048 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (4, 2, 3, 5), (5, 0, 4, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1048, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) del x1048 - x1049 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1049 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1049 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (0, 2, 4, 5), (1, 5, 3, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1049, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) - x1050 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1050 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1050 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (4, 2, 3, 5), (1, 5, 0, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1050, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) del x1050 - x1051 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1051 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1051 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (0, 2, 4, 5), (5, 1, 3, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1051, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) - x1052 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1052 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x1052 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (0, 4, 3, 5), (5, 1, 2, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1052, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) del x1052 - x1053 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1053 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) x1053 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1053, (4, 5, 2, 6), (1, 0, 4, 3, 6, 5)) * -1.0 del x1053 - x1054 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1054 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1054 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1054, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) - x1055 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1055 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) x1055 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1055, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) del x1055 - x1056 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x1056 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x1056 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1056, (4, 5, 6, 0, 2, 7), (1, 6, 4, 3, 7, 5)) del x1056 - x1057 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1057 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1057 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1057, (4, 5, 6, 0, 7, 3), (1, 6, 4, 7, 2, 5)) * -1.0 - x1058 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x1058 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x1058 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1058, (4, 5, 6, 0, 7, 2), (1, 6, 4, 3, 7, 5)) * -1.0 del x1058 - x1059 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1059 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) x1059 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1059, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -1.0 del x1059 - x1060 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1060 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) x1060 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 4, 5, 2), (1, 4, 5, 3)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1060, (4, 2, 5, 6), (1, 0, 4, 6, 5, 3)) * -1.0 del x1060 - x1061 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1061 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) x1061 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 2, 4, 5), (1, 4, 5, 3)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1061, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) del x1061 - x1062 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1062 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1062 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 2, 5, 3), (1, 0, 4, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1062, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x1062 - x1063 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1063 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1063 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 2, 4, 5), (3, 1, 4, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1063, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) - x1064 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1064 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x1064 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 2, 4, 5), (3, 1, 4, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1064, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) del x1064 - x1065 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1065 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x1065 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 4, 5, 2), (3, 1, 4, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1065, (4, 5, 2, 6), (5, 0, 1, 3, 6, 4)) * -1.0 del x1065 - x1066 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1066 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1066 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (1, 3, 4, 5), (5, 0, 4, 2)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1066, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 del x1066 - x1067 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1067 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1067 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoO, (4, 2, 1, 5), (5, 3, 0, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1067, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 - x1068 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1068 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1068 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (4, 3, 1, 5), (5, 0, 4, 2)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1068, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1068 - x1069 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1069 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1069 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoO, (1, 2, 4, 5), (5, 3, 0, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1069, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 - x1070 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1070 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1070 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoO, (1, 4, 0, 5), (5, 3, 2, 4)) * -1.0 - x1071 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1071 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1071 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1070, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) t3new_babbab += einsum(x1071, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new_babbab += einsum(x1071, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x1071 - x1072 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1072 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1072 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (4, 3, 1, 5), (5, 0, 4, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1072, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 - x1073 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1073 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1073 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (1, 3, 4, 5), (5, 0, 4, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1073, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 - x1074 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1074 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1074 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 0, 2), (1, 3, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1074, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 - x1075 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1075 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1075 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 0, 5, 2), (1, 3, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1075, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 - x1076 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1076 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1076 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 6, 2), (1, 3, 4, 5, 0, 6)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1076, (4, 5, 0, 6, 7, 1), (7, 6, 4, 3, 2, 5)) * 2.0 - x1077 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1077 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1077 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 0, 2), (1, 3, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1077, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -2.0 del x1077 - x1078 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1078 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1078 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1078, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 - x1079 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1079 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1079 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1079, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 - x1080 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1080 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x1080 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1080, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 del x1080 - x1081 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1081 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1081 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1081, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * 2.0 del x1081 - x1082 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1082 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x1082 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (1, 3, 4, 5), (5, 0, 2, 4)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1082, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 2.0 del x1082 - x1083 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1083 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1083 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (4, 3, 2, 5), (1, 5, 0, 4)) * -1.0 - x1084 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1084 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1084 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1083, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) t3new_babbab += einsum(x1084, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 t3new_babbab += einsum(x1084, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 del x1084 - x1085 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1085 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x1085 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (1, 4, 3, 5), (5, 0, 2, 4)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1085, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 del x1085 - x1086 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1086 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1086 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1086, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * 2.0 - x1087 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1087 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1087 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (0, 3, 4, 5), (1, 5, 2, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1087, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * -2.0 - x1088 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1088 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1088 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1088, (4, 5, 6, 1, 3, 7), (6, 0, 4, 7, 2, 5)) * 2.0 t3new_bbbbbb += einsum(x1088, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1088, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1088, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1088, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - x1089 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1089 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1089 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1089, (4, 5, 6, 1, 3, 7), (6, 0, 4, 7, 2, 5)) * -2.0 - x1090 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1089, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -2.0 + x1090 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1090 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1090, (4, 5, 3, 6), (1, 0, 4, 6, 2, 5)) * -2.0 - x1091 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1091 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1091 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1091, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * 2.0 - x1092 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) - x1092 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 3, 5, 2), (1, 0, 4, 5)) - x1093 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1092 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) + x1092 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 2, 5, 3), (1, 0, 4, 5)) * -1.0 + x1093 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1093 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1092, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 t3new_babbab += einsum(x1093, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new_babbab += einsum(x1093, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x1093 - x1094 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1094 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1094 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 - x1095 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1095 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1095 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1094, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 t3new_babbab += einsum(x1095, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new_babbab += einsum(x1095, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x1095 - x1096 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1096 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1096 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1096, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 del x1096 - x1097 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1097 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1097 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 2), (3, 4, 5, 0)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1097, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * 2.0 del x1097 - x1098 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1098 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1098 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (1, 4, 3, 5), (5, 0, 2, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1098, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -2.0 - x1099 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1099 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1099 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (1, 3, 4, 5), (5, 0, 2, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1099, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 2.0 - x1100 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1100 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1100 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 4, 5, 2), (3, 0, 4, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1100, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) * 2.0 - x1101 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1101 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1101 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 2, 4, 5), (3, 0, 4, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1101, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -2.0 - x1102 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1102 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x1102 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 6, 2), (1, 3, 0, 6, 4, 5)) - t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1102, (4, 5, 6, 1, 7, 2), (6, 0, 4, 3, 7, 5)) * -2.0 - x1103 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1102, (4, 5, 6, 1, 2, 7), (6, 0, 4, 3, 7, 5)) * -2.0 + x1103 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) x1103 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 0, 2), (1, 3, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1103, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * 2.0 del x1103 - x1104 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1104 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x1104 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 1, 5), (3, 0, 4, 5)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1104, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 2.0 del x1104 - x1105 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1105 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) x1105 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1105, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -2.0 del x1105 - x1106 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1106 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1106 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 5, 3), (1, 0, 5, 4)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1106, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1106 - x1107 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1107 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x1107 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 1, 2), (3, 0, 4, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1107, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -2.0 del x1107 - x1108 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1108 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1108 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aabb.ovoO, (1, 3, 4, 5), (5, 0, 4, 2)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1108, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -4.0 del x1108 - x1109 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1109 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x1109 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aabb.ovvV, (1, 3, 4, 5), (5, 0, 2, 4)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1109, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 4.0 del x1109 - x1110 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1110 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1110 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (5, 1, 6, 3, 0, 4)) t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1110, (2, 6, 5, 7, 8, 0), (1, 8, 6, 4, 3, 7)) * -1.0 del x1110 - x1111 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1111 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1111 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (6, 1, 5, 3, 0, 4)) t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1111, (2, 6, 5, 7, 8, 0), (1, 8, 6, 4, 3, 7)) del x1111 - x1112 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1112 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1112 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (4, 1, 5, 3)) t3new_babbab += einsum(x1112, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * 2.0 del x1112 - x1113 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1113 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1113 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (5, 1, 4, 3)) t3new_babbab += einsum(x1113, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * -2.0 del x1113 - x1114 = np.zeros((naocc[0], naocc[1], navir[0], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1114 = np.zeros((naocc[0], naocc[1], navir[0], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1114 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (5, 1, 6, 0, 4, 3)) * -1.0 t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (0, 1, 2, 3, 4, 5), x1114, (2, 6, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * -1.0 del x1114 - x1115 = np.zeros((naocc[0], naocc[1], navir[0], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1115 = np.zeros((naocc[0], naocc[1], navir[0], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1115 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (6, 1, 5, 0, 4, 3)) * -1.0 t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (0, 1, 2, 3, 4, 5), x1115, (2, 6, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) del x1115 - x1116 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1116 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1116 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 2, 1, 6, 3), (6, 4, 0, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1116, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -2.0 del x1116 - x1117 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=types[float]) + x1117 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) x1117 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (4, 1, 5, 3)) * -1.0 t3new_babbab += einsum(x1117, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * 2.0 del x1117 - x1118 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=types[float]) + x1118 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) x1118 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (5, 1, 4, 3)) * -1.0 t3new_babbab += einsum(x1118, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * -2.0 del x1118 - x1119 = np.zeros((naocc[0], navir[0], navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1119 = np.zeros((naocc[0], navir[0], navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1119 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (5, 6, 3, 0, 4, 1)) * -1.0 t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1119, (2, 5, 6, 7, 0, 8), (8, 7, 1, 4, 3, 6)) * -1.0 del x1119 - x1120 = np.zeros((naocc[0], navir[0], navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1120 = np.zeros((naocc[0], navir[0], navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1120 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (6, 5, 3, 0, 4, 1)) * -1.0 t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1120, (2, 5, 6, 7, 0, 8), (8, 7, 1, 4, 3, 6)) del x1120 - x1121 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1121 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1121 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1121, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -2.0 del x1121 - x1122 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=types[float]) + x1122 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) x1122 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (4, 5, 3, 1)) * -1.0 t3new_babbab += einsum(x1122, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * 2.0 del x1122 - x1123 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=types[float]) + x1123 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) x1123 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (5, 4, 3, 1)) * -1.0 t3new_babbab += einsum(x1123, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -2.0 del x1123 - x1124 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1124 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1124 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (5, 6, 0, 4, 1, 3)) t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (0, 1, 2, 3, 4, 5), x1124, (2, 5, 6, 0, 7, 8), (7, 6, 1, 8, 3, 4)) * -1.0 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1124, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x1124 - x1125 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1125 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1125 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (6, 5, 0, 4, 1, 3)) t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (0, 1, 2, 3, 4, 5), x1125, (2, 5, 6, 0, 7, 8), (7, 6, 1, 8, 3, 4)) del x1125 - x1126 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1126 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1126 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 2, 1, 6, 3), (5, 6, 4, 0)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1126, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -2.0 del x1126 - x1127 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x1127 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x1127 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (4, 5, 1, 3)) t3new_babbab += einsum(x1127, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 del x1127 - x1128 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x1128 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x1128 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (5, 4, 1, 3)) t3new_babbab += einsum(x1128, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 del x1128 - x1129 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1129 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) x1129 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 4, 3, 5, 6), (4, 6, 5, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1129, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * -2.0 del x1129 - x1130 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1130 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1130 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 4, 5, 1, 6), (4, 6, 5, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1130, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * -2.0 - t3new_bbbbbb = np.zeros((nocc[1], nocc[1], naocc[1], nvir[1], navir[1], navir[1]), dtype=types[float]) + t3new_bbbbbb = np.zeros((nocc[1], nocc[1], naocc[1], nvir[1], navir[1], navir[1]), dtype=np.float64) t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1130, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * 4.0 - x1131 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1131 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1131 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 3, 1, 6), (5, 6, 4, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1131, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 - t3new_bbbbbb = np.zeros((nocc[1], naocc[1], naocc[1], nvir[1], nvir[1], navir[1]), dtype=types[float]) + t3new_bbbbbb = np.zeros((nocc[1], naocc[1], naocc[1], nvir[1], nvir[1], navir[1]), dtype=np.float64) t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1131, (4, 5, 6, 0), (6, 4, 1, 2, 3, 5)) * 4.0 - x1132 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1132 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x1132 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 3, 6, 7), (5, 7, 4, 2, 6, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1132, (4, 5, 6, 1, 7, 2), (6, 0, 4, 3, 7, 5)) * 2.0 del x1132 - x1133 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1133 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1133 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 6, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1133, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 2.0 t3new_bbbbbb += einsum(x1133, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1133, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1133, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1133, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - x1134 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1134 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1134 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 3, 1, 6), (5, 6, 4, 0)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1134, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -2.0 del x1134 - x1135 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=types[float]) + x1135 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x1135 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1135, (4, 5, 6, 0, 7, 2), (1, 6, 4, 3, 7, 5)) * 2.0 del x1135 - x1136 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1136 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1136 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1136, (4, 5, 6, 0, 7, 3), (1, 6, 4, 7, 2, 5)) * 2.0 del x1136 - x1137 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1137 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1137 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 1, 7), (6, 7, 5, 0, 4, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1137, (4, 5, 6, 0, 7, 1), (7, 6, 4, 3, 2, 5)) * 2.0 - x1138 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1138 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) x1138 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 4, 5, 6, 3), (4, 6, 1, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1138, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -2.0 del x1138 - x1139 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1139 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1139 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoV, (4, 2, 1, 5), (3, 5, 0, 4)) * -1.0 t3new_babbab += einsum(x1139, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 del x1139 - x1140 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1140 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1140 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 6, 1, 3), (5, 4, 0, 6)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1140, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -2.0 del x1140 - x1141 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1141 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1141 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoV, (0, 2, 4, 5), (3, 5, 1, 4)) * -1.0 t3new_babbab += einsum(x1141, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 - x1142 = np.zeros((navir[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1142 = np.zeros((navir[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) x1142 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoV, (0, 4, 1, 5), (3, 5, 2, 4)) * -1.0 t3new_babbab += einsum(x1142, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -2.0 del x1142 - x1143 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x1143 = np.zeros((navir[1], navir[1]), dtype=np.float64) x1143 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoV, (0, 2, 1, 4), (3, 4)) * -1.0 t3new_babbab += einsum(x1143, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 t3new_bbbbbb += einsum(x1143, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 del x1143 - x1144 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1144 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x1144 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 3, 2, 5, 6), (6, 4, 5, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1144, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -2.0 del x1144 - x1145 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=types[float]) + x1145 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=np.float64) x1145 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvO, (4, 2, 3, 5), (1, 5, 0, 4)) * -1.0 t3new_babbab += einsum(x1145, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * -2.0 del x1145 - x1146 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1146 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1146 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1146, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -2.0 - x1147 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1147 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1147 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 2, 1, 6), (6, 5, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1147, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -2.0 del x1147 - x1148 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1148 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=np.float64) x1148 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvO, (0, 2, 4, 5), (1, 5, 3, 4)) * -1.0 t3new_babbab += einsum(x1148, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -2.0 - x1149 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x1149 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x1149 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvO, (0, 2, 3, 4), (1, 4)) * -1.0 t3new_babbab += einsum(x1149, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 t3new_bbbbbb += einsum(x1149, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 del x1149 - x1150 = np.zeros((naocc[1], naocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1150 = np.zeros((naocc[1], naocc[1], nvir[0], nvir[0]), dtype=np.float64) x1150 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvO, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 t3new_babbab += einsum(x1150, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 del x1150 - x1151 = np.zeros((naocc[1], naocc[1], navir[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1151 = np.zeros((naocc[1], naocc[1], navir[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1151 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) t3new_babbab += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1151, (6, 2, 7, 5, 8, 1), (0, 8, 6, 3, 4, 7)) * -2.0 del x1151 - x1152 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1152 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1152 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) t3new_babbab += einsum(x1152, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 t3new_bbbbbb += einsum(x1152, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 del x1152 - x1153 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1153 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1153 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (0, 2, 4, 5, 3, 6), (4, 6, 5, 1)) - x1154 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1154 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1154 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1153, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) t3new_babbab += einsum(x1154, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 t3new_babbab += einsum(x1154, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 del x1154 - x1155 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1155 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1155 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 3, 1, 6), (5, 6, 4, 0)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1155, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -6.0 - x1156 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1156 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1156 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1156, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 6.0 t3new_bbbbbb += einsum(x1156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 t3new_bbbbbb += einsum(x1156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - x1157 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1157 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1157 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1157, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -6.0 - x1158 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1158 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1158 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 1, 3), (5, 4, 0, 6)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1158, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 6.0 - x1159 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1159 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1159 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 0, 3, 5, 2, 6), (6, 4, 5, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1159, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 3.0 - x1160 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1160 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1160 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1160, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -3.0 - x1161 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1161 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1161 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 6, 2), (4, 1, 5, 3, 0, 6)) t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1161, (2, 6, 5, 7, 8, 1), (8, 0, 6, 4, 3, 7)) * -4.0 del x1161 - x1162 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1162 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1162 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 0, 2), (4, 1, 5, 3)) t3new_babbab += einsum(x1162, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * 4.0 del x1162 - x1163 = np.zeros((naocc[0], naocc[1], navir[0], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1163 = np.zeros((naocc[0], naocc[1], navir[0], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1163 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 6, 3), (4, 1, 5, 0, 6, 2)) * -1.0 t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (0, 1, 2, 3, 4, 5), x1163, (2, 6, 5, 7, 1, 8), (7, 0, 6, 8, 3, 4)) * 4.0 del x1163 - x1164 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=types[float]) + x1164 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) x1164 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 0, 3), (4, 1, 5, 2)) * -1.0 t3new_babbab += einsum(x1164, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * -4.0 del x1164 - x1165 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1165 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1165 += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 3, 1), (5, 4, 2, 6)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1165, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 4.0 del x1165 - x1166 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=types[float]) + x1166 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) x1166 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 1, 2), (4, 5, 3, 0)) * -1.0 t3new_babbab += einsum(x1166, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -4.0 del x1166 - x1167 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x1167 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x1167 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 1, 3), (4, 5, 0, 2)) t3new_babbab += einsum(x1167, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 4.0 del x1167 - x1168 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1168 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1168 += einsum(x18, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (3, 6, 2, 0, 5, 4)) * -1.0 t3new_babbab += einsum(x1168, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_babbab += einsum(x1168, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1168 - x1169 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1169 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1169 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1169, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * -4.0 del x1169 - x1170 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1170 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1170 += einsum(x37, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 5, 4)) * -1.0 t3new_babbab += einsum(x1170, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_babbab += einsum(x1170, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1170 - x1171 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1171 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1171 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 1, 7), (5, 7, 0, 4, 3, 6)) t3new_babbab += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1171, (4, 5, 1, 6, 3, 7), (6, 0, 4, 7, 2, 5)) * -4.0 - x1172 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1172 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1172 += einsum(x183, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 5, 0)) * -1.0 t3new_babbab += einsum(x1172, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_babbab += einsum(x1172, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1172 - x1173 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1173 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1173 += einsum(x111, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 2, 0, 5)) * -1.0 t3new_babbab += einsum(x1173, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_babbab += einsum(x1173, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1173 - x1174 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1174 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1174 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 1, 6, 3), (5, 4, 0, 6)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1174, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 4.0 del x1174 - x1175 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1175 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1175 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (1, 2, 4, 5), (3, 5, 0, 4)) * -1.0 t3new_babbab += einsum(x1175, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 4.0 - x1176 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1176 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1176 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (4, 2, 1, 5), (3, 5, 0, 4)) * -1.0 t3new_babbab += einsum(x1176, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -4.0 - x1177 = np.zeros((navir[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1177 = np.zeros((navir[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1177 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (1, 4, 0, 5), (3, 5, 2, 4)) * -1.0 t3new_babbab += einsum(x1177, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 - x1178 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x1178 = np.zeros((navir[1], navir[1]), dtype=np.float64) x1178 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (1, 2, 0, 4), (3, 4)) * -1.0 t3new_babbab += einsum(x1178, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 t3new_bbbbbb += einsum(x1178, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 del x1178 - x1179 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x1179 = np.zeros((navir[1], navir[1]), dtype=np.float64) x1179 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (1, 2, 0, 4), (3, 4)) * -1.0 t3new_babbab += einsum(x1179, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 t3new_bbbbbb += einsum(x1179, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 del x1179 - x1180 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1180 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x1180 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 4, 3, 2, 5, 6), (6, 4, 5, 1)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1180, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 2.0 del x1180 - x1181 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1181 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=np.float64) x1181 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvO, (4, 3, 2, 5), (1, 5, 0, 4)) * -1.0 - x1182 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1182 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1182 += einsum(x1181, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 1, 5, 6, 7), (0, 7, 4, 2, 6, 5)) t3new_babbab += einsum(x1182, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new_babbab += einsum(x1182, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x1182 - x1183 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1183 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x1183 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 4, 3, 1, 5, 6), (6, 4, 5, 2)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1183, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 del x1183 - x1184 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1184 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=np.float64) x1184 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvO, (0, 3, 4, 5), (1, 5, 2, 4)) * -1.0 t3new_babbab += einsum(x1184, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 4.0 - x1185 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x1185 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x1185 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvO, (0, 3, 2, 4), (1, 4)) * -1.0 - x1186 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1186 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1186 += einsum(x1185, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (0, 6, 3, 2, 5, 4)) t3new_babbab += einsum(x1186, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_babbab += einsum(x1186, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1186 - x1187 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1187 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=np.float64) x1187 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvO, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 t3new_babbab += einsum(x1187, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -4.0 - x1188 = np.zeros((naocc[1], naocc[1], navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1188 = np.zeros((naocc[1], naocc[1], navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1188 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) t3new_babbab += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1188, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * -2.0 - x1189 = np.zeros((naocc[1], naocc[1], navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1189 = np.zeros((naocc[1], naocc[1], navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1189 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 2, 6), (1, 6, 3, 5, 0, 4)) t3new_babbab += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1189, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * 2.0 - x1190 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1190 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1190 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) t3new_babbab += einsum(x1190, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 4.0 t3new_bbbbbb += einsum(x1190, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 12.0 del x1190 - x1191 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1191 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1191 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.oVvO, (0, 4, 2, 5), (1, 5, 3, 4)) t3new_babbab += einsum(x1191, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -4.0 t3new_bbbbbb += einsum(x1191, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -12.0 del x1191 - x1192 = np.zeros((naocc[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1192 = np.zeros((naocc[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1192 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoO, (2, 1, 3, 4), (4, 0, 2, 3)) - x1193 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1193 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1193 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1192, (2, 3, 0, 4), (2, 3, 4, 1)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1193, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1193 - x1194 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1194 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1194 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x151, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1194, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1194 - x1195 = np.zeros((navir[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1195 = np.zeros((navir[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1195 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovvV, (2, 1, 3, 4), (4, 0, 2, 3)) - x1196 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1196 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1196 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1195, (4, 5, 6, 3), (1, 4, 5, 6, 0, 2)) * -1.0 del x1195 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1196, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1196 - x1197 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1197 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1197 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x915, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1197, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x1197 - x1198 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1198 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1198 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1192, (2, 3, 4, 0), (2, 3, 4, 1)) del x1192 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1198, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x1198 - x1199 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1199 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1199 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoO, (4, 2, 5, 6), (6, 3, 0, 4, 1, 5)) * -1.0 - x1200 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1200 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1200 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1199, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x1199 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1200, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) del x1200 - x1201 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1201 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1201 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovvV, (2, 3, 1, 4), (4, 2, 0, 3)) - x1202 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1202 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1202 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1201, (2, 3, 4, 1), (2, 0, 3, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1202, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) del x1202 - x1203 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1203 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1203 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x151, (4, 0, 5, 6), (1, 3, 4, 6, 5, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1203, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) del x1203 - x1204 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1204 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1204 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1201, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1204, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x1204 - x1205 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1205 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1205 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1057, (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 0, 6)) del x1057 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1205, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x1205 - x1206 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1206 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1206 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1043, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x1043 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1206, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) del x1206 - x1207 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1207 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1207 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.ovoO, (2, 3, 0, 4), (4, 1, 2, 3)) t3new_bbbbbb += einsum(x1207, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 - x1208 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1208 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1208 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1207, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1208, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) del x1208 - x1209 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1209 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1209 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1207, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) del x1207 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1209, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) del x1209 - x1210 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1210 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1210 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.ovoo, (2, 3, 4, 0), (1, 2, 4, 3)) - x1211 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1211 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1211 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1210, (2, 3, 4, 1), (2, 0, 3, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1211, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 del x1211 - x1212 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1212 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1212 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1210, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1212, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) del x1212 - x1213 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1213 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1213 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ovvV, (2, 3, 1, 4), (0, 4, 2, 3)) t3new_bbbbbb += einsum(x1213, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 - x1214 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1214 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1214 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1213, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1214, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 del x1214 - x1215 = np.zeros((naocc[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1215 = np.zeros((naocc[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x1215 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x1216 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1216 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1216 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1215, (2, 3, 1, 4), (2, 0, 3, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1216, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) del x1216 - x1217 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1217 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1217 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1213, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) del x1213 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1217, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x1217 - x1218 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1218 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1218 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1215, (4, 5, 2, 6), (4, 3, 0, 5, 1, 6)) * -1.0 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1218, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x1218 - x1219 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1219 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1219 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x156, (4, 5, 6, 0), (1, 3, 5, 4, 6, 2)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1219, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1219 - x1220 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1220 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1220 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1076, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x1076 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1220, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1220 - x1221 = np.zeros((navir[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1221 = np.zeros((navir[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1221 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.ooov, (2, 3, 0, 4), (1, 2, 3, 4)) - x1222 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1222 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1222 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1221, (4, 5, 6, 3), (1, 4, 6, 5, 0, 2)) * -1.0 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1222, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x1222 - x1223 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1223 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1223 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1102, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) del x1102 t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1223, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1223 - x1224 = np.zeros((navir[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1224 = np.zeros((navir[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) x1224 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.vvov, (2, 3, 0, 4), (1, 2, 3, 4)) - x1225 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1225 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x1225 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1224, (2, 3, 1, 4), (2, 0, 3, 4)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1225, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 del x1225 - x1226 = np.zeros((naocc[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1226 = np.zeros((naocc[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1226 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - x1227 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1227 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1227 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1226, (2, 3, 0, 4), (2, 3, 4, 1)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1227, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1227 - x1228 = np.zeros((naocc[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1228 = np.zeros((naocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x1228 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.vvov, (2, 3, 4, 1), (0, 4, 2, 3)) - x1229 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1229 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1229 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1228, (2, 3, 4, 1), (2, 0, 3, 4)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1229, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 del x1229 - x1230 = np.zeros((naocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1230 = np.zeros((naocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x1230 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovoO, (2, 1, 3, 4), (4, 0, 3, 2)) - x1231 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1231 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1231 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1230, (2, 3, 4, 0), (2, 3, 4, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1231, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) - x1232 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1232 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1232 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1230, (2, 3, 0, 4), (2, 3, 4, 1)) del x1230 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1232, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x1233 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1233 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1233 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x156, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1233, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x1233 - x1234 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1234 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1234 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvV, (2, 1, 3, 4), (4, 0, 2, 3)) - x1235 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1235 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1235 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1234, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1235, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x1235 - x1236 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1236 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1236 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvV, (2, 3, 1, 4), (4, 0, 2, 3)) - x1237 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1237 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1237 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1236, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1237, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x1237 - x1238 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1238 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) x1238 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovoO, (0, 2, 3, 4), (4, 1, 3, 2)) - x1239 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1239 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1239 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1238, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1239, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x1240 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1240 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) x1240 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovoO, (2, 3, 0, 4), (4, 1, 2, 3)) - x1241 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1241 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1241 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1240, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1241, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) - x1242 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1242 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1242 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1240, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1242, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x1242 - x1243 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1243 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1243 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1238, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1243, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x1243 - x1244 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1244 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1244 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1221, (2, 3, 4, 1), (2, 4, 3, 0)) del x1221 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1244, (4, 0, 5, 6), (6, 5, 1, 3, 2, 4)) * -1.0 del x1244 - x1245 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1245 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1245 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ooov, (2, 3, 0, 4), (1, 2, 3, 4)) - x1246 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1246 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1246 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1245, (4, 5, 6, 3), (1, 4, 0, 6, 5, 2)) * -1.0 t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1246, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x1246 - x1247 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1247 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1247 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ooov, (2, 0, 3, 4), (1, 2, 3, 4)) - x1248 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1248 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1248 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1247, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1248, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x1248 - x1249 = np.zeros((navir[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x1249 = np.zeros((navir[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) x1249 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovvv, (0, 2, 3, 4), (1, 2, 3, 4)) - x1250 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1250 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1250 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1249, (2, 1, 3, 4), (2, 0, 4, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1250, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) - x1251 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1251 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1251 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1249, (2, 3, 4, 1), (2, 0, 3, 4)) del x1249 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1251, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) * -1.0 - x1252 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1252 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1252 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x914, (2, 3, 4, 5, 6, 1), (2, 3, 4, 0, 5, 6)) del x914 t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1252, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x1252 - x1253 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1253 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x1253 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1224, (2, 3, 4, 1), (2, 0, 4, 3)) del x1224 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1253, (4, 5, 2, 6), (5, 0, 1, 3, 6, 4)) del x1253 - x1254 = np.zeros((naocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1254 = np.zeros((naocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x1254 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - x1255 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1255 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1255 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1254, (2, 3, 0, 4), (2, 3, 4, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1255, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) - x1256 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1256 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1256 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1254, (2, 3, 4, 0), (2, 4, 3, 1)) del x1254 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1256, (4, 1, 5, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x1257 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1257 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1257 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1226, (2, 3, 4, 0), (2, 4, 3, 1)) del x1226 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1257, (4, 0, 5, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x1257 - x1258 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1258 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) x1258 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvV, (2, 3, 1, 4), (0, 4, 2, 3)) - x1259 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1259 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1259 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1258, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1259, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x1260 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1260 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) x1260 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvV, (2, 1, 3, 4), (0, 4, 2, 3)) - x1261 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1261 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1261 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1260, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1261, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) - x1262 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1262 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1262 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x1263 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1263 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1263 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1262, (2, 3, 1, 4), (2, 0, 3, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1263, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) - x1264 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1264 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1264 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) - x1265 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1265 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1265 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1264, (2, 3, 4, 1), (2, 0, 3, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1265, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x1266 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1266 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1266 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1260, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1266, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x1266 - x1267 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1267 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1267 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1258, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1267, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x1267 - x1268 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1268 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1268 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ooov, (4, 0, 5, 3), (2, 1, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1268, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x1269 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1269 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1269 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ooov, (4, 5, 0, 3), (2, 1, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1269, (4, 5, 1, 6), (6, 0, 4, 3, 2, 5)) - x1270 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1270 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1270 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.aabb.ooov, (4, 5, 0, 3), (2, 1, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1270, (4, 5, 0, 6), (1, 6, 4, 3, 2, 5)) del x1270 - x1271 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1271 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1271 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ovvv, (0, 3, 4, 5), (2, 1, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1271, (4, 5, 3, 6), (1, 0, 4, 6, 2, 5)) * -1.0 - x1272 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1272 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1272 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ovvv, (0, 4, 5, 3), (2, 1, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1272, (4, 5, 3, 6), (1, 0, 4, 6, 2, 5)) - x1273 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1273 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1273 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1228, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 del x1228 t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1273, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x1273 - x1274 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1274 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) x1274 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.aabb.vvov, (4, 5, 0, 3), (2, 1, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1274, (4, 5, 2, 6), (1, 0, 4, 3, 6, 5)) * -1.0 del x1274 - x1275 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1275 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1275 += einsum(x35, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 2, 4, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1275, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x1275 - x1276 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1276 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1276 += einsum(x35, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1276, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1276 - x1277 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1277 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1277 += einsum(x11, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 0, 2, 5)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1277, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x1277 - x1278 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1278 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1278 += einsum(x12, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 0, 2, 5)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1278, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1278 - x1279 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1279 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1279 += einsum(x33, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1279, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -6.0 del x1279 - x1280 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1280 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1280 += einsum(x33, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1280, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1280 - x1281 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1281 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1281 += einsum(x13, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1281, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1281 - x1282 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1282 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1282 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1137, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x1137 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1282, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1282 - x1283 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1283 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1283 += einsum(x15, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 0, 2, 5)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1283, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x1283 - x1284 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1284 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1284 += einsum(x0, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 0, 5)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1284, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1284 - x1285 = np.zeros((navir[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1285 = np.zeros((navir[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1285 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) - x1286 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1286 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1286 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1285, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(x1286, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 del x1286 - x1287 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1287 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1287 += einsum(x1285, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 7, 3, 1), (6, 0, 5, 2, 4, 7)) del x1285 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1287, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1287 - x1288 = np.zeros((navir[1], nocc[1]), dtype=types[float]) + x1288 = np.zeros((navir[1], nocc[1]), dtype=np.float64) x1288 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoV, (0, 1, 2, 3), (3, 2)) - x1289 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x1289 = np.zeros((navir[1], navir[1]), dtype=np.float64) x1289 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1288, (2, 0), (1, 2)) del x1288 t3new_babbab += einsum(x1289, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 t3new_bbbbbb += einsum(x1289, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 del x1289 - x1290 = np.zeros((naocc[1], naocc[1], nocc[0], nvir[0]), dtype=types[float]) + x1290 = np.zeros((naocc[1], naocc[1], nocc[0], nvir[0]), dtype=np.float64) x1290 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) - x1291 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=types[float]) + x1291 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=np.float64) x1291 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1290, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(x1291, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 del x1291 - x1292 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1292 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1292 += einsum(x1290, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 5, 2, 4, 6)) del x1290 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1292, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1292 - x1293 = np.zeros((naocc[1], nvir[1]), dtype=types[float]) + x1293 = np.zeros((naocc[1], nvir[1]), dtype=np.float64) x1293 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovvO, (0, 1, 2, 3), (3, 2)) - x1294 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x1294 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x1294 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), x1293, (2, 1), (0, 2)) del x1293 t3new_babbab += einsum(x1294, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 t3new_bbbbbb += einsum(x1294, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 del x1294 - x1295 = np.zeros((naocc[0], naocc[1], navir[0], nocc[1]), dtype=types[float]) + x1295 = np.zeros((naocc[0], naocc[1], navir[0], nocc[1]), dtype=np.float64) x1295 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.OVov, (2, 3, 4, 1), (2, 0, 3, 4)) - x1296 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1296 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1296 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1295, (2, 3, 4, 0), (2, 3, 4, 1)) t3new_babbab += einsum(x1296, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * -2.0 del x1296 - x1297 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=types[float]) + x1297 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) x1297 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1295, (2, 3, 4, 0), (2, 3, 4, 1)) del x1295 t3new_babbab += einsum(x1297, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * 2.0 del x1297 - x1298 = np.zeros((naocc[0], navir[0], navir[1], nvir[1]), dtype=types[float]) + x1298 = np.zeros((naocc[0], navir[0], navir[1], nvir[1]), dtype=np.float64) x1298 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.OVov, (2, 3, 0, 4), (2, 3, 1, 4)) - x1299 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=types[float]) + x1299 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) x1299 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1298, (2, 3, 4, 1), (2, 3, 4, 0)) del x1298 t3new_babbab += einsum(x1299, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * 2.0 del x1299 - x1300 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x1300 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x1300 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x169, (2, 3, 4, 0), (2, 3, 4, 1)) del x169 t3new_babbab += einsum(x1300, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 del x1300 - x1301 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1301 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1301 += einsum(x16, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1301, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1301 - x1302 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1302 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1302 += einsum(x16, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1302, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1302 - x1303 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1303 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1303 += einsum(x1, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 0, 5)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1303, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1303 - x1304 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1304 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1304 += einsum(x20, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 0, 5)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1304, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1304 - x1305 = np.zeros((navir[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1305 = np.zeros((navir[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) x1305 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovoV, (0, 2, 3, 4), (1, 4, 3, 2)) - x1306 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1306 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1306 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1305, (2, 3, 4, 1), (2, 3, 0, 4)) del x1305 t3new_babbab += einsum(x1306, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 - x1307 = np.zeros((navir[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1307 = np.zeros((navir[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) x1307 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) - x1308 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1308 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1308 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1307, (2, 3, 4, 1), (2, 3, 0, 4)) del x1307 t3new_babbab += einsum(x1308, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 - x1309 = np.zeros((navir[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1309 = np.zeros((navir[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) x1309 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) - x1310 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1310 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1310 += einsum(x1309, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 7, 1), (6, 0, 5, 4, 2, 7)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1310, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1310 - x1311 = np.zeros((navir[1], nocc[1]), dtype=types[float]) + x1311 = np.zeros((navir[1], nocc[1]), dtype=np.float64) x1311 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovoV, (0, 1, 2, 3), (3, 2)) - x1312 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x1312 = np.zeros((navir[1], navir[1]), dtype=np.float64) x1312 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1311, (2, 0), (1, 2)) del x1311 t3new_babbab += einsum(x1312, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 t3new_bbbbbb += einsum(x1312, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 del x1312 - x1313 = np.zeros((navir[1], nocc[1]), dtype=types[float]) + x1313 = np.zeros((navir[1], nocc[1]), dtype=np.float64) x1313 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovoV, (2, 1, 0, 3), (3, 2)) - x1314 = np.zeros((navir[1], navir[1]), dtype=types[float]) + x1314 = np.zeros((navir[1], navir[1]), dtype=np.float64) x1314 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1313, (2, 0), (1, 2)) del x1313 t3new_babbab += einsum(x1314, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 t3new_bbbbbb += einsum(x1314, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 del x1314 - x1315 = np.zeros((naocc[1], naocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1315 = np.zeros((naocc[1], naocc[1], nocc[1], nvir[1]), dtype=np.float64) x1315 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) - x1316 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1316 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=np.float64) x1316 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1315, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(x1316, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) - x1317 = np.zeros((naocc[1], naocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1317 = np.zeros((naocc[1], naocc[1], nocc[1], nvir[1]), dtype=np.float64) x1317 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvO, (2, 1, 3, 4), (0, 4, 2, 3)) - x1318 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1318 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=np.float64) x1318 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1317, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(x1318, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -1.0 - x1319 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1319 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1319 += einsum(x1317, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (0, 7, 5, 4, 2, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1319, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1319 - x1320 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1320 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1320 += einsum(x1315, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (0, 7, 5, 4, 2, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1320, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1320 - x1321 = np.zeros((naocc[1], nvir[1]), dtype=types[float]) + x1321 = np.zeros((naocc[1], nvir[1]), dtype=np.float64) x1321 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvO, (0, 1, 2, 3), (3, 2)) - x1322 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x1322 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x1322 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), x1321, (2, 1), (0, 2)) del x1321 t3new_babbab += einsum(x1322, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 t3new_bbbbbb += einsum(x1322, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 del x1322 - x1323 = np.zeros((naocc[1], nvir[1]), dtype=types[float]) + x1323 = np.zeros((naocc[1], nvir[1]), dtype=np.float64) x1323 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvO, (0, 2, 1, 3), (3, 2)) - x1324 = np.zeros((naocc[1], naocc[1]), dtype=types[float]) + x1324 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x1324 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), x1323, (2, 1), (0, 2)) del x1323 t3new_babbab += einsum(x1324, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 t3new_bbbbbb += einsum(x1324, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 del x1324 - x1325 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1]), dtype=types[float]) + x1325 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1]), dtype=np.float64) x1325 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovOV, (2, 1, 3, 4), (0, 3, 4, 2)) - x1326 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1326 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1326 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1325, (2, 3, 4, 0), (2, 3, 1, 4)) del x1325 t3new_babbab += einsum(x1326, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 t3new_bbbbbb += einsum(x1326, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 del x1326 - x1327 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1]), dtype=types[float]) + x1327 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1]), dtype=np.float64) x1327 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.oVvO, (2, 3, 1, 4), (0, 4, 3, 2)) - x1328 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=types[float]) + x1328 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1328 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1327, (2, 3, 4, 0), (2, 3, 1, 4)) del x1327 t3new_babbab += einsum(x1328, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 t3new_bbbbbb += einsum(x1328, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 del x1328 - x1329 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1329 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1329 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 2), (1, 3, 4, 5)) t3new_bbbbbb += einsum(x1329, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 - x1330 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1330 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1330 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1329, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1330, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 del x1330 - x1331 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1331 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1331 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 0, 5), (1, 3, 4, 5)) t3new_bbbbbb += einsum(x1331, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 - x1332 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1332 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1332 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1331, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1332, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) del x1332 - x1333 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1333 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1333 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x35, (4, 0, 5, 2), (1, 4, 5, 3)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1333, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x1333 - x1334 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1334 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1334 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 0, 5), (3, 4, 1, 5)) * -1.0 - x1335 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1335 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1335 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1334, (2, 3, 4, 1), (2, 0, 3, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1335, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) del x1335 - x1336 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1336 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1336 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x35, (4, 5, 0, 2), (1, 4, 5, 3)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1336, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) del x1336 - x1337 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1337 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1337 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 2), (3, 4, 1, 5)) * -1.0 - x1338 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1338 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1338 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1337, (2, 3, 4, 1), (2, 0, 3, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1338, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 del x1338 - x1339 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1339 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1339 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1329, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) del x1329 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1339, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x1339 - x1340 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1340 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1340 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1331, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) del x1331 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1340, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) del x1340 - x1341 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x1341 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x1341 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 6, 2), (1, 3, 0, 4, 6, 5)) - x1342 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1342 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1342 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1341, (4, 5, 6, 7, 0, 2), (4, 5, 6, 7, 1, 3)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1342, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) del x1342 - x1343 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1343 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1343 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1341, (4, 5, 6, 0, 7, 2), (4, 5, 6, 7, 1, 3)) del x1341 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1343, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x1343 - x1344 = np.zeros((naocc[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1344 = np.zeros((naocc[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x1344 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 2), (1, 4, 5, 3)) * -1.0 - x1345 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1345 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1345 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1344, (4, 5, 2, 6), (4, 3, 0, 5, 1, 6)) * -1.0 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1345, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) del x1345 - x1346 = np.zeros((naocc[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1346 = np.zeros((naocc[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x1346 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 0, 5), (1, 4, 5, 3)) * -1.0 - x1347 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1347 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1347 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1346, (4, 5, 2, 6), (4, 3, 0, 5, 1, 6)) * -1.0 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1347, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x1347 - x1348 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1348 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1348 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1334, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1348, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 del x1348 - x1349 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1349 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1349 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1337, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1349, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) del x1349 - x1350 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1350 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1350 += einsum(x11, (0, 1), t2.abab[np.ix_(soa,sOb,sva,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1350, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 del x1350 - x1351 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1351 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1351 += einsum(x12, (0, 1), t2.abab[np.ix_(soa,sOb,sva,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1351, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) del x1351 - x1352 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1352 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1352 += einsum(x11, (0, 1), t2.abab[np.ix_(soa,sob,sva,sVb)], (2, 3, 1, 4), (4, 2, 0, 3)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1352, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 del x1352 - x1353 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1353 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1353 += einsum(x12, (0, 1), t2.abab[np.ix_(soa,sob,sva,sVb)], (2, 3, 1, 4), (4, 2, 0, 3)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1353, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) del x1353 - x1354 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1354 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1354 += einsum(x11, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 1, 4), (3, 2, 0, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1354, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x1354 - x1355 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1355 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1355 += einsum(x12, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 1, 4), (3, 2, 0, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1355, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) del x1355 - x1356 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1356 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1356 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x980, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1356, (4, 5, 6, 0, 7, 1), (7, 6, 4, 3, 2, 5)) * 2.0 - x1357 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1357 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1357 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 0, 2), (1, 3, 4, 5)) t3new_bbbbbb += einsum(x1357, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 4.0 - x1358 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1358 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1358 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1357, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1358, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -2.0 del x1358 - x1359 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1359 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x1359 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x33, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1359, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 del x1359 - x1360 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1360 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1360 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x33, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1360, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * 2.0 del x1360 - x1361 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1361 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1361 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x980, (4, 5, 6, 7, 1, 2), (4, 5, 0, 6, 7, 3)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1361, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1361 - x1362 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1362 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1362 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x176, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1362, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1362 - x1363 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1363 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1363 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1357, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) del x1357 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1363, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x1363 - x1364 = np.zeros((navir[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1364 = np.zeros((navir[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1364 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 1, 5), (3, 0, 4, 5)) * -1.0 - x1365 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1365 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1365 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1364, (4, 5, 6, 3), (1, 4, 5, 6, 0, 2)) * -1.0 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1365, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1365 - x1366 = np.zeros((naocc[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1366 = np.zeros((naocc[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x1366 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 - x1367 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1367 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1367 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1366, (4, 5, 2, 6), (4, 3, 0, 5, 1, 6)) * -1.0 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1367, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x1367 - x1368 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1368 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1368 += einsum(x0, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1368, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 - x1369 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1369 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1369 += einsum(x0, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1369, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 - x1370 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1370 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1370 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x33, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1370, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 del x1370 - x1371 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1371 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1371 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 2), (3, 4, 0, 5)) * -1.0 - x1372 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1372 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1372 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1371, (2, 3, 4, 1), (2, 0, 3, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1372, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * 2.0 del x1372 - x1373 = np.zeros((naocc[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1373 = np.zeros((naocc[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1373 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 5, 3), (1, 0, 4, 5)) * -1.0 - x1374 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1374 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1374 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1373, (2, 3, 0, 4), (2, 3, 4, 1)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1374, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 del x1374 - x1375 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1375 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1375 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1371, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1375, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x1375 - x1376 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1376 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1376 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x934, (4, 5, 6, 7, 1, 3), (4, 5, 6, 7, 0, 2)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1376, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x1376 - x1377 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1377 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1377 += einsum(x0, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1377, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1377 - x1378 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1378 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) x1378 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 5), (1, 3, 4, 5)) - x1379 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1379 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1379 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1378, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1379, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x1380 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1380 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1380 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x934, (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 0, 6)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1380, (4, 5, 6, 0, 7, 1), (7, 6, 4, 3, 2, 5)) - x1381 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1381 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1381 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x13, (0, 4, 5, 2), (1, 4, 5, 3)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1381, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x1382 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1382 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1382 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1364, (2, 3, 4, 1), (2, 3, 4, 0)) del x1364 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1382, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) del x1382 - x1383 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1383 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x1383 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x13, (0, 4, 1, 5), (3, 4, 2, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1383, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) del x1383 - x1384 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1384 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1384 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x176, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1384, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x1384 - x1385 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1385 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1385 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1378, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1385, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x1385 - x1386 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1386 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1386 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x934, (4, 5, 6, 0, 7, 3), (4, 5, 6, 1, 7, 2)) del x934 t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1386, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x1386 - x1387 = np.zeros((naocc[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1387 = np.zeros((naocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x1387 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 4, 5, 3), (1, 5, 2, 4)) * -1.0 - x1388 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1388 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1388 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1387, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 del x1387 t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1388, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x1388 - x1389 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1389 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1389 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1373, (2, 3, 4, 0), (2, 3, 4, 1)) del x1373 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1389, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) del x1389 - x1390 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1390 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1390 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 5), (3, 1, 4, 5)) * -1.0 - x1391 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1391 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1391 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1390, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1391, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x1391 - x1392 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1392 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1392 += einsum(x15, (0, 1), t2.abab[np.ix_(soa,sOb,sva,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1392, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 del x1392 - x1393 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1393 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1393 += einsum(x15, (0, 1), t2.abab[np.ix_(soa,sob,sva,sVb)], (2, 3, 1, 4), (4, 2, 0, 3)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1393, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 del x1393 - x1394 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1394 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1394 += einsum(x15, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 1, 4), (3, 2, 0, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1394, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x1394 - x1395 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1395 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) x1395 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x981, (4, 0, 5, 3), (1, 4, 2, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1395, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * -1.0 del x1395 - x1396 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1396 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1396 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x981, (4, 5, 2, 3), (4, 0, 5, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1396, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 del x1396 - x1397 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1397 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1397 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x981, (4, 0, 2, 5), (1, 4, 3, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1397, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * -1.0 - x1398 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1398 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1398 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x981, (4, 5, 2, 3), (1, 4, 0, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1398, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 del x1398 - x1399 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1399 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1399 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x981, (4, 0, 2, 5), (4, 1, 3, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1399, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 - x1400 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1400 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x1400 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x981, (4, 0, 5, 3), (4, 1, 2, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1400, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 del x1400 - x1401 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=types[float]) + x1401 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) x1401 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x982, (4, 0, 1, 5), (4, 3, 2, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1401, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * -1.0 del x1401 - x1402 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1402 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1402 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x982, (4, 0, 5, 2), (4, 3, 1, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1402, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x1403 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1403 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1403 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x982, (4, 5, 1, 2), (4, 0, 5, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1403, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x1403 - x1404 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1404 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1404 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x982, (4, 5, 1, 2), (4, 3, 0, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1404, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 del x1404 - x1405 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1405 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1405 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x982, (4, 0, 5, 2), (4, 1, 5, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1405, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x1406 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1406 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) x1406 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x982, (4, 0, 1, 5), (4, 2, 5, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1406, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -1.0 del x1406 - x1407 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1407 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) x1407 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 0, 2), (1, 3, 4, 5)) - x1408 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1408 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1408 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1407, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1408, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 - x1409 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1409 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) x1409 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 2, 0, 5), (1, 3, 4, 5)) - x1410 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1410 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1410 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1409, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1410, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 - x1411 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1411 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1411 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x16, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1411, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 - x1412 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1412 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1412 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x16, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1412, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 - x1413 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1413 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1413 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 6, 2), (1, 3, 0, 4, 6, 5)) - x1414 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1414 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1414 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1413, (4, 5, 6, 7, 1, 3), (4, 5, 0, 6, 7, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1414, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1414 - x1415 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1415 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1415 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1413, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 7, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1415, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1415 - x1416 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1416 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1416 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1407, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1416, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1416 - x1417 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1417 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1417 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1409, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1417, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1417 - x1418 = np.zeros((naocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1418 = np.zeros((naocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x1418 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 2, 5, 3), (1, 0, 4, 5)) * -1.0 - x1419 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1419 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1419 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1418, (2, 3, 4, 0), (2, 3, 4, 1)) del x1418 - x1420 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1420 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1420 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1419, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) t3new_babbab += einsum(x1420, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new_babbab += einsum(x1420, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x1420 - x1421 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1421 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1421 += einsum(x1, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1421, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 - x1422 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1422 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1422 += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1422, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 - x1423 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1423 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1423 += einsum(x1, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1423, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 - x1424 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1424 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1424 += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1424, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 - x1425 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1425 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1425 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x16, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 - x1426 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1426 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1426 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1425, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) t3new_babbab += einsum(x1426, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new_babbab += einsum(x1426, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x1426 - x1427 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1427 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1427 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 2), (3, 0, 4, 5)) * -1.0 - x1428 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1428 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1428 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1427, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1428, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1428 - x1429 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1429 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1429 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 2, 1, 5), (3, 0, 4, 5)) * -1.0 - x1430 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1430 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1430 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1429, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1430, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1430 - x1431 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1431 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1431 += einsum(x1, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1431, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1431 - x1432 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1432 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1432 += einsum(x20, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1432, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 del x1432 - x1433 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1433 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x1433 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x961, (4, 1, 5, 3), (4, 0, 2, 5)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1433, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 2.0 del x1433 - x1434 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1434 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1434 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x961, (4, 5, 2, 3), (1, 4, 0, 5)) * -1.0 - x1435 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1435 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1435 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1434, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) * -1.0 t3new_babbab += einsum(x1435, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new_babbab += einsum(x1435, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x1435 - x1436 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1436 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x1436 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x961, (4, 1, 3, 5), (4, 0, 2, 5)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1436, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 del x1436 - x1437 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1437 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1437 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x961, (4, 0, 3, 5), (1, 4, 2, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1437, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * 2.0 - x1438 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1438 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1438 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x961, (4, 0, 5, 3), (1, 4, 2, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1438, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * -2.0 - x1439 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1439 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1439 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x961, (4, 1, 3, 5), (4, 0, 2, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1439, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -2.0 - x1440 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1440 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1440 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x961, (4, 1, 5, 3), (4, 0, 2, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1440, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 2.0 - x1441 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1441 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1441 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x975, (4, 5, 1, 3), (4, 0, 5, 2)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1441, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1441 - x1442 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1442 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1442 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 1, 5, 2), (4, 3, 0, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1442, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 - x1443 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1443 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1443 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x975, (4, 1, 5, 3), (4, 0, 5, 2)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1443, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 del x1443 - x1444 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1444 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1444 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 5, 1, 2), (4, 3, 0, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1444, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 - x1445 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=types[float]) + x1445 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1445 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 1, 0, 5), (4, 3, 2, 5)) - x1446 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1446 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1446 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1445, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) * -1.0 t3new_babbab += einsum(x1446, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new_babbab += einsum(x1446, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x1446 - x1447 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1447 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1447 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x975, (4, 1, 5, 3), (4, 0, 5, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1447, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 - x1448 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1448 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1448 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x975, (4, 5, 1, 3), (4, 0, 5, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1448, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 - x1449 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1449 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1449 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x980, (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1449, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -4.0 del x1449 - x1450 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=types[float]) + x1450 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) x1450 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x981, (4, 1, 3, 5), (4, 0, 2, 5)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1450, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -4.0 del x1450 - x1451 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1451 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1451 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x982, (4, 1, 5, 3), (4, 0, 5, 2)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1451, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -4.0 del x1451 - x1452 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1452 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1452 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x197, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1452, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1452 - x1453 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1453 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1453 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1356, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x1356 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1453, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1453 - x1454 = np.zeros((navir[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1454 = np.zeros((navir[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1454 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x981, (2, 3, 1, 4), (2, 0, 3, 4)) - x1455 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1455 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1455 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1454, (4, 5, 6, 3), (1, 4, 5, 6, 0, 2)) * -1.0 del x1454 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1455, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x1455 - x1456 = np.zeros((naocc[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1456 = np.zeros((naocc[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1456 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x982, (2, 3, 4, 1), (2, 0, 3, 4)) - x1457 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1457 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1457 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1456, (2, 3, 0, 4), (2, 3, 4, 1)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1457, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1457 - x1458 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1458 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1458 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x197, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1458, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x1458 - x1459 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1459 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1459 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1380, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x1380 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1459, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) del x1459 - x1460 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x1460 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x1460 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x981, (2, 3, 4, 1), (2, 3, 0, 4)) del x981 - x1461 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=types[float]) + x1461 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1461 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1460, (2, 3, 4, 1), (2, 0, 3, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1461, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 del x1461 - x1462 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1462 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1462 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1460, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1462, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) del x1462 - x1463 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=types[float]) + x1463 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1463 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1456, (2, 3, 4, 0), (2, 3, 4, 1)) del x1456 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1463, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 del x1463 - x1464 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1464 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1464 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x982, (4, 5, 6, 2), (4, 3, 0, 5, 1, 6)) * -1.0 - x1465 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1465 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1465 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1464, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x1464 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1465, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) del x1465 - x1466 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1466 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1466 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.aabb.ovov, (4, 5, 0, 3), (2, 1, 4, 5)) t3new_bbbbbb += einsum(x1466, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 - x1467 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1467 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1467 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1466, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1467, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) del x1467 - x1468 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1468 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1468 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1466, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) del x1466 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1468, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) del x1468 - x1469 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1469 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1469 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x961, (2, 3, 1, 4), (2, 0, 3, 4)) - x1470 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1470 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1470 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1469, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1470, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x1470 - x1471 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1471 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1471 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x961, (2, 3, 4, 1), (2, 0, 3, 4)) - x1472 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1472 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1472 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1471, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1472, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x1472 - x1473 = np.zeros((naocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1473 = np.zeros((naocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x1473 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x975, (2, 3, 4, 1), (2, 0, 4, 3)) - x1474 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1474 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1474 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1473, (2, 3, 4, 0), (2, 3, 4, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1474, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) - x1475 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1475 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1475 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1473, (2, 3, 0, 4), (2, 3, 4, 1)) del x1473 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1475, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x1476 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1476 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) x1476 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ovov, (4, 3, 0, 5), (2, 1, 4, 5)) - x1477 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1477 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1477 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1476, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1477, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x1478 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=types[float]) + x1478 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) x1478 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ovov, (4, 5, 0, 3), (2, 1, 4, 5)) - x1479 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1479 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1479 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1478, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1479, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) - x1480 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1480 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1480 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1476, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1480, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 del x1480 - x1481 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1481 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1481 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1478, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1481, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) del x1481 - x1482 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1482 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1482 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 5, 6, 3), (0, 2, 4, 1, 5, 6)) t3new_abaaba += einsum(x1482, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1482, (4, 5, 1, 6, 3, 7), (0, 6, 4, 2, 7, 5)) * 2.0 - x1483 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1483 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1483 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 4, 1, 6)) t3new_abaaba += einsum(x1483, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1483, (4, 5, 1, 6, 3, 7), (0, 6, 4, 2, 7, 5)) * 4.0 del x1483 - x1484 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1484 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1484 += einsum(f.aa.ov, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (4, 6, 0, 2, 3, 5)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1484, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1484 - x1485 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1485 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1485 += einsum(f.bb.ov, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 0, 3, 5)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1485, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1485 - x1486 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1486 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1486 += einsum(f.bb.ov, (0, 1), t2.abab[np.ix_(sOa,sob,sVa,svb)], (2, 3, 4, 1), (2, 4, 0, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1486, (4, 5, 1, 6), (0, 6, 4, 2, 3, 5)) * -1.0 del x1486 - x1487 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1487 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1487 += einsum(f.bb.ov, (0, 1), t2.abab[np.ix_(soa,sob,sVa,svb)], (2, 3, 4, 1), (4, 2, 0, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1487, (4, 5, 1, 6), (5, 6, 0, 2, 3, 4)) del x1487 - x1488 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1488 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1488 += einsum(f.bb.ov, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 4, 1), (2, 0, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1488, (4, 1, 5, 6), (0, 5, 4, 6, 3, 2)) del x1488 - x1489 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1489 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1489 += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1489, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 del x1489 - x1490 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1490 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1490 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oOvV, (4, 5, 2, 6), (5, 6, 0, 4, 1, 3)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1490, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) del x1490 - x1491 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1491 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1491 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oOoo, (0, 2, 3, 4), (2, 1, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1491, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) del x1491 - x1492 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1492 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) x1492 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oOvv, (0, 2, 3, 4), (2, 1, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1492, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) * -1.0 del x1492 - x1493 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1493 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1493 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vVoo, (1, 2, 3, 4), (0, 2, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1493, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 del x1493 - x1494 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1494 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) x1494 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vVvv, (1, 2, 3, 4), (0, 2, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1494, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) del x1494 - x1495 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1495 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1495 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.oOoo, (0, 2, 3, 4), (2, 3, 4, 1)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1495, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 del x1495 - x1496 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1496 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1496 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oOvv, (4, 5, 6, 3), (5, 2, 0, 4, 1, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1496, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) del x1496 - x1497 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1497 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1497 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vvoo, (2, 1, 3, 4), (0, 3, 4, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1497, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) del x1497 - x1498 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1498 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) x1498 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vvvv, (2, 1, 3, 4), (0, 2, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1498, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -1.0 del x1498 - x1499 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1499 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1499 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oovV, (4, 5, 2, 6), (0, 6, 4, 5, 1, 3)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1499, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x1499 - x1500 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1500 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1500 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovoV, (4, 2, 5, 6), (0, 6, 5, 4, 1, 3)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1500, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) del x1500 - x1501 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1501 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1501 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oooo, (2, 0, 3, 4), (1, 2, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1501, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 del x1501 - x1502 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1502 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1502 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oovv, (2, 0, 3, 4), (1, 2, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1502, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) del x1502 - x1503 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1503 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1503 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vVoo, (1, 2, 3, 4), (2, 0, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1503, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) del x1503 - x1504 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1504 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1504 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vVvv, (1, 2, 3, 4), (2, 0, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1504, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -1.0 del x1504 - x1505 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1505 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1505 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oooo, (4, 5, 6, 1), (0, 2, 4, 5, 6, 3)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1505, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) del x1505 - x1506 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1506 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1506 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oovv, (4, 5, 6, 3), (0, 2, 4, 5, 1, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1506, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x1506 - x1507 = np.zeros((naocc[0], navir[0], nocc[1], nvir[0], nvir[0], nvir[1]), dtype=types[float]) + x1507 = np.zeros((naocc[0], navir[0], nocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) x1507 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vvvv, (4, 5, 6, 3), (0, 2, 1, 4, 5, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1507, (2, 3, 4, 1, 5, 6), (0, 4, 2, 5, 6, 3)) del x1507 - x1508 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1508 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1508 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1508, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x1508 - x1509 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1509 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1509 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vOov, (2, 3, 4, 1), (3, 0, 4, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1509, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) del x1509 - x1510 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1510 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1510 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vOov, (4, 5, 6, 3), (5, 2, 0, 1, 6, 4)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1510, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x1510 - x1511 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1511 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1511 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oVov, (2, 3, 4, 1), (3, 2, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1511, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) del x1511 - x1512 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1512 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1512 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oVov, (4, 5, 6, 3), (0, 5, 4, 1, 6, 2)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1512, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x1512 - x1513 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1513 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1513 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 6, 3), (0, 2, 4, 1, 6, 5)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1513, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - x1514 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1514 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1514 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oOvv, (2, 3, 4, 1), (3, 2, 0, 4)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1514, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 del x1514 - x1515 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1515 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1515 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oOoo, (2, 3, 4, 0), (3, 2, 4, 1)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1515, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1515 - x1516 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1516 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1516 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.oooo, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1516, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1516 - x1517 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1517 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) x1517 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.vvvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1517, (2, 3, 4, 5, 1, 6), (4, 0, 2, 5, 6, 3)) * 2.0 del x1517 - x1518 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1518 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1518 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.vvoo, (4, 2, 5, 6), (1, 3, 0, 5, 6, 4)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1518, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1518 - x1519 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1519 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1519 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vVvv, (2, 3, 4, 1), (3, 0, 2, 4)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1519, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 del x1519 - x1520 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1520 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1520 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.vVoo, (3, 4, 5, 6), (1, 4, 0, 5, 6, 2)) * -1.0 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1520, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1520 - x1521 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1521 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1521 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 1, 4, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1521, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1521 - x1522 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1522 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1522 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 3, 6, 7), (5, 7, 0, 2, 4, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1522, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1522 - x1523 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1523 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1523 += einsum(v.aaaa.ovOO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 3, 1, 6, 7), (2, 7, 4, 0, 5, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1523, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1523 - x1524 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1524 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1524 += einsum(v.aaaa.oOvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 3, 2, 6, 7), (1, 7, 4, 0, 5, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1524, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1524 - x1525 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1525 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1525 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 1, 6, 7), (5, 7, 4, 0, 2, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1525, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1525 - x1526 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1526 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1526 += einsum(v.aabb.ovvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 0, 5, 2)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1526, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1526 - x1527 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1527 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1527 += einsum(v.aaaa.ovVV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 1, 7, 3), (6, 2, 4, 0, 5, 7)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1527, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1527 - x1528 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1528 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1528 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oVoo, (0, 2, 3, 4), (1, 2, 3, 4)) t3new_abaaba += einsum(x1528, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 del x1528 - x1529 = np.zeros((navir[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1529 = np.zeros((navir[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) x1529 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oVvv, (0, 2, 3, 4), (1, 2, 3, 4)) t3new_abaaba += einsum(x1529, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -2.0 del x1529 - x1530 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1530 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=np.float64) x1530 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vOoo, (1, 2, 3, 4), (0, 2, 3, 4)) t3new_abaaba += einsum(x1530, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 del x1530 - x1531 = np.zeros((naocc[0], naocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1531 = np.zeros((naocc[0], naocc[0], nvir[1], nvir[1]), dtype=np.float64) x1531 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vOvv, (1, 2, 3, 4), (0, 2, 3, 4)) t3new_abaaba += einsum(x1531, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 del x1531 - x1532 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1532 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1532 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oOOV, (0, 2, 3, 4), (2, 3, 1, 4)) t3new_abaaba += einsum(x1532, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * -2.0 del x1532 - x1533 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1533 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1533 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vVOV, (1, 2, 3, 4), (0, 3, 2, 4)) t3new_abaaba += einsum(x1533, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * 2.0 del x1533 - x1534 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=types[float]) + x1534 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) x1534 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.oOOV, (0, 2, 3, 4), (2, 3, 4, 1)) t3new_abaaba += einsum(x1534, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * 2.0 del x1534 - x1535 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=types[float]) + x1535 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) x1535 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vvOV, (2, 1, 3, 4), (0, 3, 4, 2)) t3new_abaaba += einsum(x1535, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -2.0 del x1535 - x1536 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=types[float]) + x1536 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) x1536 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ooOV, (2, 0, 3, 4), (3, 1, 4, 2)) t3new_abaaba += einsum(x1536, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * 2.0 del x1536 - x1537 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=types[float]) + x1537 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) x1537 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vVOV, (1, 2, 3, 4), (3, 2, 4, 0)) t3new_abaaba += einsum(x1537, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -2.0 del x1537 - x1538 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1538 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1538 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ooOV, (2, 0, 3, 4), (3, 4, 2, 1)) t3new_abaaba += einsum(x1538, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 del x1538 - x1539 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1539 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1539 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vvOV, (2, 1, 3, 4), (3, 4, 0, 2)) t3new_abaaba += einsum(x1539, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 del x1539 - x1540 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1540 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1540 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1540, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1540 - x1541 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1541 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1541 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1541, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1541 - x1542 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1542 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1542 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1542, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1542 - x1543 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1543 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=np.float64) x1543 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OOov, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(x1543, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 del x1543 - x1544 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1544 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1544 += einsum(v.aabb.OOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1544, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1544 - x1545 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1545 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1545 += einsum(v.aabb.vvov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 2, 0)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1545, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1545 - x1546 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1546 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1546 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.VVov, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(x1546, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 del x1546 - x1547 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1547 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1547 += einsum(v.aabb.VVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1547, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1547 - x1548 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1548 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1548 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 3, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1548, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -6.0 del x1548 - x1549 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1549 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) x1549 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oOov, (0, 4, 1, 5), (4, 2, 3, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1549, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) del x1549 - x1550 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1550 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1550 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oOov, (0, 4, 5, 3), (4, 2, 1, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1550, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) del x1550 - x1551 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1551 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1551 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oOov, (0, 4, 5, 3), (4, 1, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1551, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 del x1551 - x1552 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1552 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) x1552 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oOov, (0, 4, 1, 5), (4, 2, 3, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1552, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -1.0 del x1552 - x1553 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1553 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1553 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (2, 4, 5, 3), (4, 0, 1, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1553, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) del x1553 - x1554 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1554 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1554 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (2, 4, 5, 3), (0, 4, 1, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1554, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 del x1554 - x1555 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1555 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1555 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (2, 4, 1, 5), (4, 0, 3, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1555, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) del x1555 - x1556 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1556 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) x1556 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (2, 4, 1, 5), (0, 4, 3, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1556, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) * -1.0 del x1556 - x1557 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1557 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1557 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 3), (0, 2, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1557, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 del x1557 - x1558 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1558 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1558 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 3), (0, 2, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1558, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) del x1558 - x1559 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1559 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1559 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 6, 3), (0, 2, 4, 5, 1, 6)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1559, (4, 5, 0, 6, 7, 1), (6, 7, 4, 2, 3, 5)) - x1560 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1560 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) x1560 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 4, 5, 3), (0, 2, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1560, (4, 5, 3, 6), (0, 1, 4, 2, 6, 5)) * -1.0 del x1560 - x1561 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1561 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) x1561 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 3, 4, 5), (0, 2, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1561, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) del x1561 - x1562 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1562 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1562 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 5, 6, 3), (0, 2, 1, 4, 5, 6)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1562, (4, 5, 6, 1, 3, 7), (0, 6, 4, 2, 7, 5)) del x1562 - x1563 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1563 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1563 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 3, 5, 6), (0, 2, 1, 4, 5, 6)) - t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1563, (4, 5, 6, 1, 3, 7), (0, 6, 4, 2, 7, 5)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1563, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * -1.0 del x1563 - x1564 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1564 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x1564 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 6, 3), (0, 2, 1, 6, 4, 5)) - t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1564, (4, 5, 6, 1, 7, 2), (0, 6, 4, 7, 3, 5)) * -1.0 - x1565 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1564, (4, 5, 6, 1, 2, 7), (0, 6, 4, 7, 3, 5)) * -1.0 + x1565 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1565 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x490, (4, 5, 6, 2), (4, 5, 0, 1, 6, 3)) del x490 t3new_abaaba += einsum(x1565, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new_abaaba += einsum(x1565, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x1565 - x1566 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1566 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1566 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovoO, (0, 2, 4, 5), (5, 4, 1, 3)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1566, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 del x1566 - x1567 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1567 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1567 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovoO, (4, 2, 0, 5), (5, 4, 1, 3)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1567, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1567 - x1568 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1568 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1568 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 5), (1, 3, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1568, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -2.0 del x1568 - x1569 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1569 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1569 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovoo, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1569, (4, 5, 6, 0, 7, 1), (6, 7, 4, 2, 3, 5)) * 2.0 - x1570 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1570 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1570 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x514, (4, 5, 6, 0), (4, 5, 6, 1, 2, 3)) del x514 t3new_abaaba += einsum(x1570, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new_abaaba += einsum(x1570, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x1570 - x1571 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1571 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1571 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovvV, (0, 2, 4, 5), (5, 1, 4, 3)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1571, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 del x1571 - x1572 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1572 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1572 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovvV, (0, 4, 2, 5), (5, 1, 4, 3)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1572, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 del x1572 - x1573 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1573 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) x1573 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1573, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) * 2.0 del x1573 - x1574 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1574 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1574 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1574, (4, 5, 6, 0, 7, 3), (6, 1, 4, 2, 7, 5)) * -2.0 - x1575 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1575 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1575 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1575, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) del x1575 - x1576 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1576 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1576 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 3), (2, 0, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1576, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 del x1576 - x1577 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1577 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1577 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1577, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 del x1577 - x1578 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1578 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1578 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 3), (2, 0, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1578, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) del x1578 - x1579 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1579 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1579 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 5, 3), (2, 4, 1, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1579, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 del x1579 - x1580 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1580 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1580 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 1, 5), (2, 4, 3, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1580, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -1.0 del x1580 - x1581 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1581 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) x1581 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 4, 5, 3), (0, 2, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1581, (4, 5, 3, 6), (0, 1, 4, 5, 6, 2)) del x1581 - x1582 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1582 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) x1582 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 3, 4, 5), (0, 2, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1582, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -1.0 del x1582 - x1583 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1583 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1583 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 3, 4, 5), (2, 0, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1583, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -1.0 del x1583 - x1584 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1584 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1584 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 4, 5, 3), (2, 0, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1584, (4, 5, 3, 6), (5, 1, 0, 2, 6, 4)) del x1584 - x1585 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1585 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) x1585 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 1, 5), (0, 4, 3, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1585, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) del x1585 - x1586 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1586 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1586 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 5, 3), (0, 1, 5, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1586, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) del x1586 - x1587 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1587 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1587 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovoo, (0, 3, 4, 5), (1, 4, 5, 2)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1587, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * 2.0 del x1587 - x1588 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1588 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1588 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 4, 5, 1), (2, 5, 4, 3)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1588, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 del x1588 - x1589 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1589 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) x1589 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovvv, (0, 3, 4, 5), (1, 2, 4, 5)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1589, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -2.0 del x1589 - x1590 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1590 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1590 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x532, (4, 5, 0, 6), (4, 2, 5, 1, 6, 3)) del x532 t3new_abaaba += einsum(x1590, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new_abaaba += einsum(x1590, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x1590 - x1591 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1591 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1591 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 4, 5, 3), (2, 1, 4, 5)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1591, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 del x1591 - x1592 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1592 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1592 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x510, (4, 5, 6, 2), (0, 4, 5, 1, 6, 3)) del x510 t3new_abaaba += einsum(x1592, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new_abaaba += einsum(x1592, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x1592 - x1593 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1593 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1593 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovoo, (1, 2, 4, 5), (3, 0, 4, 5)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1593, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * 2.0 del x1593 - x1594 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1594 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1594 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 2, 5, 1), (0, 4, 5, 3)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1594, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1594 - x1595 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1595 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1595 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 2, 5, 3), (0, 4, 1, 5)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1595, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 del x1595 - x1596 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1596 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1596 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovvv, (1, 2, 4, 5), (3, 0, 4, 5)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1596, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -2.0 del x1596 - x1597 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1597 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1597 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.aabb.oOov, (4, 5, 1, 3), (5, 4, 0, 2)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1597, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -4.0 del x1597 - x1598 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1598 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1598 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.aabb.vVov, (4, 5, 1, 3), (5, 0, 4, 2)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1598, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 4.0 del x1598 - x1599 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1599 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) x1599 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 2, 4, 1, 5, 6), (4, 6, 5, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1599, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) * -2.0 del x1599 - x1600 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1600 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1600 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 5, 1, 3, 6), (5, 6, 4, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1600, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -2.0 del x1600 - x1601 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=types[float]) + x1601 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x1601 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 5, 6, 3, 7), (5, 7, 4, 2, 6, 1)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1601, (4, 5, 6, 1, 7, 2), (0, 6, 4, 7, 3, 5)) * 2.0 del x1601 - x1602 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1602 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1602 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 5, 1, 6, 7), (5, 7, 4, 2, 6, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1602, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * 2.0 del x1602 - x1603 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1603 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1603 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1603, (4, 5, 6, 0, 7, 3), (6, 1, 4, 2, 7, 5)) * 2.0 del x1603 - x1604 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1604 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1604 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 0, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1604, (4, 5, 6, 0, 7, 1), (6, 7, 4, 2, 3, 5)) * 2.0 - x1605 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1605 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1605 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 3, 6), (6, 5, 0, 1, 4, 2)) t3new_abaaba += einsum(t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (0, 1, 2, 3, 4, 5), x1605, (2, 5, 6, 7, 0, 8), (6, 7, 1, 8, 3, 4)) del x1605 - x1606 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1606 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1606 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 2, 1, 6, 3), (5, 6, 4, 0)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1606, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -2.0 del x1606 - x1607 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1607 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1607 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (1, 3, 4, 5), (4, 5, 0, 2)) t3new_abaaba += einsum(x1607, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 del x1607 - x1608 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1608 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1608 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (1, 4, 3, 5), (5, 4, 0, 2)) t3new_abaaba += einsum(x1608, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 del x1608 - x1609 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1609 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1609 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x583, (4, 5, 6, 2), (4, 5, 0, 1, 6, 3)) del x583 t3new_abaaba += einsum(x1609, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -3.0 t3new_abaaba += einsum(x1609, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -3.0 del x1609 - x1610 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1610 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) x1610 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 2, 4, 5, 6, 1), (4, 5, 6, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1610, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -2.0 del x1610 - x1611 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1611 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1611 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 5, 6, 3, 1), (5, 4, 2, 6)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1611, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -2.0 del x1611 - x1612 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1612 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1612 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oVov, (0, 4, 5, 3), (2, 4, 1, 5)) t3new_abaaba += einsum(x1612, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 del x1612 - x1613 = np.zeros((navir[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1613 = np.zeros((navir[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) x1613 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oVov, (0, 4, 1, 5), (2, 4, 3, 5)) t3new_abaaba += einsum(x1613, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * 2.0 del x1613 - x1614 = np.zeros((naocc[1], navir[0], navir[1], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1614 = np.zeros((naocc[1], navir[0], navir[1], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1614 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (5, 2, 6, 0, 1, 4)) t3new_abaaba += einsum(t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1614, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) del x1614 - x1615 = np.zeros((naocc[1], navir[0], navir[1], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1615 = np.zeros((naocc[1], navir[0], navir[1], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1615 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 3, 6), (6, 2, 5, 0, 1, 4)) t3new_abaaba += einsum(t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1615, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) * -1.0 del x1615 - x1616 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1616 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1616 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1616, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -2.0 del x1616 - x1617 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=types[float]) + x1617 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) x1617 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (1, 3, 4, 5), (4, 2, 5, 0)) t3new_abaaba += einsum(x1617, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -2.0 del x1617 - x1618 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=types[float]) + x1618 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) x1618 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (1, 4, 3, 5), (5, 2, 4, 0)) t3new_abaaba += einsum(x1618, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * 2.0 del x1618 - x1619 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1619 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=np.float64) x1619 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vOov, (2, 4, 5, 3), (0, 4, 1, 5)) t3new_abaaba += einsum(x1619, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 del x1619 - x1620 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1620 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1620 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 1, 0, 5, 6), (6, 4, 5, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1620, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -2.0 del x1620 - x1621 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1621 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1621 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 0, 3, 6), (6, 4, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1621, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -2.0 del x1621 - x1622 = np.zeros((naocc[0], naocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1622 = np.zeros((naocc[0], naocc[0], nvir[1], nvir[1]), dtype=np.float64) x1622 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vOov, (2, 4, 1, 5), (0, 4, 3, 5)) t3new_abaaba += einsum(x1622, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * 2.0 del x1622 - x1623 = np.zeros((naocc[0], naocc[1], navir[1], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1623 = np.zeros((naocc[0], naocc[1], navir[1], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1623 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (0, 5, 6, 1, 4, 2)) t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (0, 1, 2, 3, 4, 5), x1623, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) del x1623 - x1624 = np.zeros((naocc[0], naocc[1], navir[1], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1624 = np.zeros((naocc[0], naocc[1], navir[1], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1624 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 3, 6), (0, 6, 5, 1, 4, 2)) t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (0, 1, 2, 3, 4, 5), x1624, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * -1.0 del x1624 - x1625 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1625 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1625 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 2, 1, 6, 3), (6, 5, 4, 0)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1625, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -2.0 del x1625 - x1626 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=types[float]) + x1626 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) x1626 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (1, 3, 4, 5), (0, 4, 5, 2)) t3new_abaaba += einsum(x1626, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -2.0 del x1626 - x1627 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=types[float]) + x1627 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) x1627 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (1, 4, 3, 5), (0, 5, 4, 2)) t3new_abaaba += einsum(x1627, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * 2.0 del x1627 - x1628 = np.zeros((naocc[0], naocc[0], navir[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1628 = np.zeros((naocc[0], naocc[0], navir[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1628 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 6, 3), (0, 4, 2, 5, 1, 6)) t3new_abaaba += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1628, (6, 2, 7, 5, 8, 1), (0, 8, 6, 3, 4, 7)) * -2.0 del x1628 - x1629 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1629 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1629 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (0, 5, 2, 6, 1, 4)) t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1629, (6, 2, 7, 5, 8, 0), (1, 8, 6, 4, 3, 7)) * -1.0 del x1629 - x1630 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[1], nocc[1]), dtype=types[float]) + x1630 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1630 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 3, 6), (0, 6, 2, 5, 1, 4)) t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1630, (6, 2, 7, 5, 8, 0), (1, 8, 6, 4, 3, 7)) del x1630 - x1631 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1631 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1631 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (1, 3, 4, 5), (0, 4, 2, 5)) t3new_abaaba += einsum(x1631, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * 2.0 del x1631 - x1632 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1632 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1632 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (1, 4, 3, 5), (0, 5, 2, 4)) t3new_abaaba += einsum(x1632, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * -2.0 del x1632 - x1633 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1633 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1633 += einsum(x37, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 del x37 t3new_abaaba += einsum(x1633, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_abaaba += einsum(x1633, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x1633 - x1634 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1634 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1634 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 1, 6, 7), (5, 7, 0, 4, 3, 6)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1634, (4, 5, 1, 6, 3, 7), (0, 6, 4, 2, 7, 5)) * -4.0 del x1634 - x1635 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1635 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1635 += einsum(x18, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) * -1.0 t3new_abaaba += einsum(x1635, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_abaaba += einsum(x1635, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x1635 - x1636 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1636 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1636 += einsum(x111, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) * -1.0 del x111 t3new_abaaba += einsum(x1636, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_abaaba += einsum(x1636, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x1636 - x1637 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1637 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1637 += einsum(x183, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) * -1.0 t3new_abaaba += einsum(x1637, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_abaaba += einsum(x1637, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x1637 - x1638 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1638 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1638 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 1, 6, 3), (5, 0, 4, 6)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1638, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 4.0 del x1638 - x1639 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1639 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1639 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 3, 2, 5, 6), (6, 4, 1, 5)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1639, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 del x1639 - x1640 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1640 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1640 += einsum(x608, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x608 t3new_abaaba += einsum(x1640, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new_abaaba += einsum(x1640, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x1640 - x1641 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1641 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1641 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 3, 1, 5, 6), (6, 4, 2, 5)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1641, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 del x1641 - x1642 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1642 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1642 += einsum(x615, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) del x615 t3new_abaaba += einsum(x1642, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_abaaba += einsum(x1642, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x1642 - x1643 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[0], nocc[0]), dtype=types[float]) + x1643 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1643 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1643, (6, 2, 7, 5, 8, 1), (8, 0, 6, 4, 3, 7)) * -4.0 del x1643 - x1644 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1644 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1644 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) t3new_abaaba += einsum(x1644, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * 4.0 del x1644 - x1645 = np.zeros((naocc[0], naocc[1], navir[1], nocc[0], nocc[0], nvir[0]), dtype=types[float]) + x1645 = np.zeros((naocc[0], naocc[1], navir[1], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x1645 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovOV, (4, 3, 5, 6), (1, 5, 6, 0, 4, 2)) * -1.0 t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (0, 1, 2, 3, 4, 5), x1645, (6, 2, 5, 7, 1, 8), (7, 0, 6, 8, 3, 4)) * 4.0 del x1645 - x1646 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=types[float]) + x1646 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) x1646 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovOV, (0, 3, 4, 5), (1, 4, 5, 2)) * -1.0 t3new_abaaba += einsum(x1646, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -4.0 del x1646 - x1647 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1647 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1647 += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 2, 6, 1, 3), (5, 0, 4, 6)) * -1.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1647, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 4.0 del x1647 - x1648 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=types[float]) + x1648 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) x1648 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovOV, (1, 2, 4, 5), (4, 3, 5, 0)) * -1.0 t3new_abaaba += einsum(x1648, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -4.0 del x1648 - x1649 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1649 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1649 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aabb.ovOV, (1, 3, 4, 5), (4, 5, 0, 2)) t3new_abaaba += einsum(x1649, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 4.0 del x1649 - x1650 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1650 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1650 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x656, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) del x656 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1650, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) del x1650 - x1651 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1651 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1651 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x653, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) del x653 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1651, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x1651 - x1652 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1652 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1652 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x686, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) del x686 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1652, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) del x1652 - x1653 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1653 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1653 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x683, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) del x683 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1653, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x1653 - x1654 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1654 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1654 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aabb.ovoo, (0, 3, 4, 5), (2, 1, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1654, (4, 5, 1, 6), (0, 6, 4, 2, 3, 5)) del x1654 - x1655 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1655 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) x1655 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aabb.ovvv, (0, 3, 4, 5), (2, 1, 4, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1655, (4, 5, 3, 6), (0, 1, 4, 2, 6, 5)) * -1.0 del x1655 - x1656 = np.zeros((naocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1656 = np.zeros((naocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1656 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.ovoo, (2, 1, 3, 4), (0, 2, 3, 4)) - x1657 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1657 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1657 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1656, (2, 0, 3, 4), (2, 4, 3, 1)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1657, (4, 1, 5, 6), (0, 5, 4, 6, 3, 2)) * -1.0 del x1657 - x1658 = np.zeros((naocc[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1658 = np.zeros((naocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1658 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) - x1659 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1659 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1659 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1658, (4, 5, 6, 3), (4, 2, 0, 5, 1, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1659, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) del x1659 - x1660 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1660 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1660 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x640, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) del x640 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1660, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x1660 - x1661 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1661 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1661 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x646, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) del x646 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1661, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) del x1661 - x1662 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1662 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1662 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x666, (4, 5, 6, 2), (0, 4, 6, 5, 1, 3)) del x666 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1662, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) del x1662 - x1663 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1663 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1663 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x663, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) del x663 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1663, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x1663 - x1664 = np.zeros((navir[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1664 = np.zeros((navir[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1664 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ovoo, (0, 2, 3, 4), (1, 3, 4, 2)) - x1665 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1665 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1665 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1664, (2, 3, 4, 1), (2, 0, 4, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1665, (4, 5, 1, 6), (5, 6, 0, 2, 3, 4)) * -1.0 del x1665 - x1666 = np.zeros((navir[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1666 = np.zeros((navir[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) x1666 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ovvv, (0, 2, 3, 4), (1, 2, 3, 4)) - x1667 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1667 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1667 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1666, (2, 1, 3, 4), (2, 0, 4, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1667, (4, 5, 3, 6), (5, 1, 0, 2, 6, 4)) del x1667 - x1668 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1668 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1668 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x151, (4, 5, 6, 1), (0, 2, 4, 5, 6, 3)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1668, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) del x1668 - x1669 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1669 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1669 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1482, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) del x1482 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1669, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x1669 - x1670 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1670 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1670 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x403, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1670, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) del x1670 - x1671 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1671 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1671 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x403, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x403 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1671, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x1671 - x1672 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1672 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1672 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x409, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1672, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 del x1672 - x1673 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1673 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1673 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x409, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x409 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1673, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x1673 - x1674 = np.zeros((naocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1674 = np.zeros((naocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1674 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oOov, (2, 3, 4, 1), (3, 2, 0, 4)) - x1675 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1675 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1675 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1674, (2, 0, 3, 4), (2, 3, 4, 1)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1675, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 del x1675 - x1676 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1676 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1676 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oOov, (4, 5, 6, 3), (5, 2, 0, 4, 1, 6)) - x1677 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1677 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1677 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1676, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x1676 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1677, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x1677 - x1678 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1678 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1678 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x407, (2, 3, 4, 1), (2, 0, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1678, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) del x1678 - x1679 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1679 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1679 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x407, (4, 5, 6, 3), (4, 2, 0, 1, 5, 6)) del x407 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1679, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x1679 - x1680 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1680 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1680 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x401, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1680, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 del x1680 - x1681 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1681 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1681 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x401, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) del x401 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1681, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x1681 - x1682 = np.zeros((navir[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1682 = np.zeros((navir[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1682 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vVov, (2, 3, 4, 1), (3, 0, 4, 2)) - x1683 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1683 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1683 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1682, (2, 3, 4, 1), (2, 0, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1683, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) del x1683 - x1684 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1684 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1684 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x405, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) del x405 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1684, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x1684 - x1685 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1685 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1685 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x156, (4, 5, 6, 1), (0, 2, 5, 4, 6, 3)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1685, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) del x1685 - x1686 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1686 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1686 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1559, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x1559 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1686, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) del x1686 - x1687 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1687 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1687 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1564, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) del x1564 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1687, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x1687 - x1688 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1688 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1688 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x151, (4, 0, 5, 6), (1, 3, 4, 6, 5, 2)) del x151 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1688, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1688 - x1689 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1689 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1689 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1574, (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 0, 6)) del x1574 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1689, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1689 - x1690 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1690 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1690 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1569, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x1569 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1690, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1690 - x1691 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1691 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1691 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1666, (2, 3, 4, 1), (2, 0, 3, 4)) del x1666 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1691, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 del x1691 - x1692 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1692 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1692 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1664, (4, 5, 6, 3), (1, 4, 0, 6, 5, 2)) * -1.0 del x1664 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1692, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1692 - x1693 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1693 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1693 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1658, (2, 3, 4, 1), (2, 3, 0, 4)) del x1658 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1693, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 del x1693 - x1694 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1694 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1694 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1656, (2, 3, 4, 0), (2, 3, 4, 1)) del x1656 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1694, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1694 - x1695 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1695 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1695 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1674, (2, 3, 4, 0), (2, 3, 4, 1)) del x1674 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1695, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1695 - x1696 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1696 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1696 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x156, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) del x156 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1696, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1696 - x1697 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1697 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1697 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x462, (2, 3, 4, 5, 6, 1), (2, 3, 4, 0, 5, 6)) del x462 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1697, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1697 - x1698 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1698 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1698 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1682, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 del x1682 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1698, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1698 - x1699 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1699 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1699 += einsum(x35, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 3, 6, 7), (5, 7, 0, 2, 4, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1699, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1699 - x1700 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1700 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1700 += einsum(x35, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 1, 4, 6)) del x35 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1700, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1700 - x1701 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1701 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1701 += einsum(x11, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 0, 3, 5)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1701, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1701 - x1702 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1702 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1702 += einsum(x12, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 0, 3, 5)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1702, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1702 - x1703 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1703 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1703 += einsum(x738, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 3, 7, 1), (6, 0, 4, 2, 5, 7)) del x738 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1703, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1703 - x1704 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1704 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1704 += einsum(x748, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 2, 5, 6)) del x748 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1704, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1704 - x1705 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1705 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1705 += einsum(x745, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 2, 5, 6)) del x745 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1705, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1705 - x1706 = np.zeros((naocc[0], naocc[1], navir[1], nocc[0]), dtype=types[float]) + x1706 = np.zeros((naocc[0], naocc[1], navir[1], nocc[0]), dtype=np.float64) x1706 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.ovOV, (2, 1, 3, 4), (0, 3, 4, 2)) - x1707 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=types[float]) + x1707 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1707 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x1706, (2, 3, 4, 0), (2, 3, 1, 4)) t3new_abaaba += einsum(x1707, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * -2.0 del x1707 - x1708 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=types[float]) + x1708 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) x1708 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1706, (2, 3, 4, 0), (2, 3, 4, 1)) del x1706 t3new_abaaba += einsum(x1708, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * 2.0 del x1708 - x1709 = np.zeros((naocc[1], navir[0], navir[1], nvir[0]), dtype=types[float]) + x1709 = np.zeros((naocc[1], navir[0], navir[1], nvir[0]), dtype=np.float64) x1709 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ovOV, (0, 2, 3, 4), (3, 1, 4, 2)) - x1710 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=types[float]) + x1710 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) x1710 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1709, (2, 3, 4, 1), (2, 3, 4, 0)) del x1709 t3new_abaaba += einsum(x1710, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * 2.0 del x1710 - x1711 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=types[float]) + x1711 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1711 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x166, (2, 3, 4, 0), (2, 3, 4, 1)) del x166 t3new_abaaba += einsum(x1711, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 del x1711 - x1712 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1712 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1712 += einsum(x33, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1712, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1712 - x1713 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1713 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1713 += einsum(x13, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1713, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1713 - x1714 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1714 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1714 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1604, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x1604 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1714, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1714 - x1715 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1715 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1715 += einsum(x15, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 0, 3, 5)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1715, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1715 - x1716 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1716 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1716 += einsum(x0, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1716, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1716 - x1717 = np.zeros((navir[0], navir[0], nocc[1], nvir[1]), dtype=types[float]) + x1717 = np.zeros((navir[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x1717 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oVov, (0, 2, 3, 4), (1, 2, 3, 4)) - x1718 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1718 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1718 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1717, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(x1718, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 del x1718 - x1719 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1719 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1719 += einsum(x1717, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) del x1717 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1719, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1719 - x1720 = np.zeros((naocc[0], naocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1720 = np.zeros((naocc[0], naocc[0], nocc[1], nvir[1]), dtype=np.float64) x1720 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vOov, (1, 2, 3, 4), (0, 2, 3, 4)) - x1721 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1721 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=np.float64) x1721 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1720, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(x1721, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 del x1721 - x1722 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1722 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1722 += einsum(x1720, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x1720 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1722, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1722 - x1723 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1723 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1723 += einsum(x16, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1723, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1723 - x1724 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1724 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1724 += einsum(x16, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1724, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1724 - x1725 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1725 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1725 += einsum(x1, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1725, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1725 - x1726 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1726 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1726 += einsum(x20, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1726, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1726 - x1727 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1727 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1727 += einsum(x13, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 5, 6, 3, 7), (5, 7, 4, 1, 2, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1727, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -6.0 del x1727 - x1728 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1728 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) x1728 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x716, (4, 0, 1, 5), (4, 2, 3, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1728, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) del x1728 - x1729 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1729 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1729 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x716, (4, 0, 5, 3), (4, 2, 1, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1729, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) del x1729 - x1730 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1730 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1730 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x716, (4, 0, 5, 3), (4, 1, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1730, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 del x1730 - x1731 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=types[float]) + x1731 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) x1731 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x716, (4, 0, 1, 5), (4, 2, 3, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1731, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -1.0 del x1731 - x1732 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1732 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1732 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 5, 2, 3), (4, 0, 1, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1732, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 del x1732 - x1733 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=types[float]) + x1733 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) x1733 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 1, 2, 5), (0, 4, 3, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1733, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) del x1733 - x1734 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1734 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1734 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 5, 2, 3), (0, 4, 1, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1734, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) del x1734 - x1735 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1735 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1735 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 1, 2, 5), (4, 0, 3, 5)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1735, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -1.0 del x1735 - x1736 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1736 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1736 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1513, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1736, (4, 5, 6, 0, 7, 1), (6, 7, 4, 2, 3, 5)) - x1737 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1737 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1737 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x792, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) del x792 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1737, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x1737 - x1738 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1738 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1738 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x176, (4, 5, 6, 1), (0, 2, 4, 5, 6, 3)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1738, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) del x1738 - x1739 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1739 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1739 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1513, (4, 5, 6, 7, 1, 2), (4, 5, 0, 6, 7, 3)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1739, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) del x1739 - x1740 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1740 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1740 += einsum(x0, (0, 1), t2.abab[np.ix_(sOa,sob,sVa,svb)], (2, 3, 4, 1), (2, 4, 3, 0)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1740, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 del x1740 - x1741 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1741 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1741 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x798, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) del x798 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1741, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1741 - x1742 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1742 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1742 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x802, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) del x802 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1742, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1742 - x1743 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1743 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1743 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x361, (4, 5, 6, 7, 0, 2), (4, 5, 6, 7, 1, 3)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1743, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1743 - x1744 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1744 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1744 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x361, (4, 5, 6, 0, 7, 2), (4, 5, 6, 7, 1, 3)) del x361 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1744, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1744 - x1745 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1745 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1745 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x856, (4, 5, 6, 0), (4, 5, 6, 1, 2, 3)) * -1.0 del x856 t3new_abaaba += einsum(x1745, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new_abaaba += einsum(x1745, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x1745 - x1746 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1746 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1746 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x375, (4, 0, 5, 2), (4, 1, 5, 3)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1746, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 del x1746 - x1747 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1747 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1747 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x375, (4, 0, 2, 5), (4, 1, 5, 3)) del x375 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1747, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 del x1747 - x1748 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1748 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1748 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x874, (4, 5, 6, 2), (4, 5, 0, 1, 6, 3)) * -1.0 del x874 t3new_abaaba += einsum(x1748, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new_abaaba += einsum(x1748, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x1748 - x1749 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1749 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1749 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x389, (4, 5, 0, 2), (4, 5, 1, 3)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1749, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1749 - x1750 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1750 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1750 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x389, (4, 0, 5, 2), (4, 5, 1, 3)) del x389 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1750, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 del x1750 - x1751 = np.zeros((navir[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1751 = np.zeros((navir[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1751 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 4, 5, 3), (2, 1, 5, 4)) - x1752 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1752 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1752 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1751, (2, 3, 4, 1), (2, 0, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1752, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 del x1752 - x1753 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1753 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1753 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x33, (4, 0, 1, 5), (2, 4, 3, 5)) del x33 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1753, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -1.0 del x1753 - x1754 = np.zeros((naocc[0], nocc[0], nvir[1], nvir[1]), dtype=types[float]) + x1754 = np.zeros((naocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1754 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 1, 5), (0, 4, 3, 5)) - x1755 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1755 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1755 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1754, (4, 5, 6, 3), (4, 2, 0, 5, 1, 6)) del x1754 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1755, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x1755 - x1756 = np.zeros((naocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1756 = np.zeros((naocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1756 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 5, 3), (0, 4, 1, 5)) - x1757 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1757 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1757 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1756, (2, 0, 3, 4), (2, 3, 4, 1)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1757, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 del x1757 - x1758 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1758 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1758 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x778, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) del x778 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1758, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) del x1758 - x1759 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1759 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1759 += einsum(x0, (0, 1), t2.abab[np.ix_(soa,sob,sVa,svb)], (2, 3, 4, 1), (4, 2, 3, 0)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1759, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) del x1759 - x1760 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1760 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1760 += einsum(x0, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1760, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) del x1760 - x1761 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1761 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1761 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x830, (4, 5, 0, 6), (4, 2, 5, 1, 6, 3)) * -1.0 del x830 t3new_abaaba += einsum(x1761, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new_abaaba += einsum(x1761, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x1761 - x1762 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1762 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1762 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x817, (4, 5, 6, 2), (0, 4, 5, 1, 6, 3)) * -1.0 del x817 t3new_abaaba += einsum(x1762, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 t3new_abaaba += einsum(x1762, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 del x1762 - x1763 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1763 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1763 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x814, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) del x814 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1763, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1763 - x1764 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1764 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1764 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x809, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) del x809 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1764, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1764 - x1765 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1765 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1765 += einsum(x11, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) del x11 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1765, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 del x1765 - x1766 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1766 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1766 += einsum(x12, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) del x12 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1766, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1766 - x1767 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1767 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1767 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x771, (4, 5, 6, 7, 1, 3), (4, 5, 6, 7, 0, 2)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1767, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -4.0 del x1767 - x1768 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1768 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1768 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x713, (4, 1, 5, 3), (4, 0, 5, 2)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1768, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -4.0 del x1768 - x1769 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1769 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1769 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x716, (4, 5, 1, 3), (4, 5, 0, 2)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1769, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -4.0 del x1769 - x1770 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1770 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1770 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x564, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1770, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 del x1770 - x1771 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1771 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1771 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x565, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1771, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) del x1771 - x1772 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1772 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1772 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x564, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x564 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1772, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x1772 - x1773 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1773 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1773 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x565, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x565 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1773, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x1773 - x1774 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1774 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1774 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 6, 3), (0, 2, 1, 4, 6, 5)) - x1775 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1775 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1775 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1774, (4, 5, 6, 7, 1, 3), (4, 5, 0, 6, 7, 2)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1775, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x1775 - x1776 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1776 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1776 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1774, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 7, 2)) del x1774 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1776, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x1776 - x1777 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1777 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1777 += einsum(x1, (0, 1), t2.abab[np.ix_(sOa,sob,sVa,svb)], (2, 3, 4, 1), (2, 4, 3, 0)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1777, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 del x1777 - x1778 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1778 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1778 += einsum(x20, (0, 1), t2.abab[np.ix_(sOa,sob,sVa,svb)], (2, 3, 4, 1), (2, 4, 3, 0)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1778, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) del x1778 - x1779 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1779 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1779 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x582, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1779, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -2.0 del x1779 - x1780 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1780 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1780 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x771, (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 0, 6)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1780, (4, 5, 6, 0, 7, 1), (6, 7, 4, 2, 3, 5)) * 2.0 - x1781 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1781 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1781 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x176, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) del x176 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1781, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1781 - x1782 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1782 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1782 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x582, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x582 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1782, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1782 - x1783 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1783 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1783 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x771, (4, 5, 6, 0, 7, 3), (4, 5, 6, 1, 7, 2)) del x771 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1783, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1783 - x1784 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1784 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1784 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x16, (4, 1, 5, 3), (0, 4, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1784, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) del x1784 - x1785 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1785 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1785 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x552, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1785, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 del x1785 - x1786 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1786 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1786 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x16, (4, 5, 1, 3), (0, 4, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1786, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 del x1786 - x1787 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1787 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1787 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x550, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1787, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) del x1787 - x1788 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1788 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1788 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x557, (4, 5, 6, 3), (4, 2, 0, 1, 5, 6)) del x557 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1788, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x1788 - x1789 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1789 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1789 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x559, (4, 5, 6, 3), (4, 2, 0, 1, 5, 6)) del x559 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1789, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x1789 - x1790 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1790 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1790 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x552, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) del x552 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1790, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x1790 - x1791 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1791 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1791 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x550, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) del x550 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1791, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x1791 - x1792 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1792 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1792 += einsum(x1, (0, 1), t2.abab[np.ix_(soa,sob,sVa,svb)], (2, 3, 4, 1), (4, 2, 3, 0)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1792, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) del x1792 - x1793 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1793 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1793 += einsum(x20, (0, 1), t2.abab[np.ix_(soa,sob,sVa,svb)], (2, 3, 4, 1), (4, 2, 3, 0)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1793, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 del x1793 - x1794 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1794 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1794 += einsum(x1, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1794, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) del x1794 - x1795 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1795 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1795 += einsum(x20, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1795, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 del x1795 - x1796 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1796 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1796 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x13, (0, 4, 5, 3), (1, 4, 5, 2)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1796, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * 2.0 del x1796 - x1797 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=types[float]) + x1797 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1797 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x13, (0, 4, 1, 5), (2, 4, 5, 3)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1797, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 del x1797 - x1798 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1798 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1798 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x577, (4, 5, 6, 3), (4, 2, 0, 1, 5, 6)) del x577 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1798, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1798 - x1799 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1799 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1799 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1751, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 del x1751 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1799, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1799 - x1800 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1800 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1800 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x573, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1800, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * 2.0 del x1800 - x1801 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1801 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1801 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x13, (4, 5, 1, 2), (0, 4, 5, 3)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1801, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1801 - x1802 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1802 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1802 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1756, (2, 3, 4, 0), (2, 3, 4, 1)) del x1756 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1802, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1802 - x1803 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1803 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1803 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x573, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) del x573 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1803, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1803 - x1804 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1804 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1804 += einsum(x15, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) del x15 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1804, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 del x1804 - x1805 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1805 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1805 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1513, (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) del x1513 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1805, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1805 - x1806 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1806 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1806 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x904, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) del x904 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1806, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x1806 - x1807 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1807 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1807 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x907, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) del x907 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1807, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) del x1807 - x1808 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1808 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1808 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x888, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) del x888 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1808, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) del x1808 - x1809 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1809 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1809 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x893, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) del x893 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1809, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x1809 - x1810 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=types[float]) + x1810 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1810 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x719, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1810, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) del x1810 - x1811 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1811 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1811 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x719, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x719 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1811, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) del x1811 - x1812 = np.zeros((naocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1812 = np.zeros((naocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1812 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x716, (2, 3, 4, 1), (2, 3, 0, 4)) - x1813 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1813 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1813 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1812, (2, 0, 3, 4), (2, 3, 4, 1)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1813, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 del x1813 - x1814 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1814 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1814 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x716, (4, 5, 6, 3), (4, 2, 0, 5, 1, 6)) del x716 - x1815 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1815 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1815 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1814, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x1814 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1815, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x1815 - x1816 = np.zeros((navir[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1816 = np.zeros((navir[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1816 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x713, (2, 3, 4, 1), (2, 0, 3, 4)) del x713 - x1817 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=types[float]) + x1817 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1817 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1816, (2, 3, 4, 1), (2, 0, 3, 4)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1817, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 del x1817 - x1818 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1818 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1818 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x714, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) del x714 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1818, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 del x1818 - x1819 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1819 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1819 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x197, (4, 5, 6, 1), (0, 2, 4, 5, 6, 3)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1819, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) del x1819 - x1820 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1820 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1820 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1736, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x1736 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1820, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) del x1820 - x1821 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1821 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1821 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x197, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) del x197 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1821, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1821 - x1822 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1822 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1822 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1780, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x1780 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1822, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1822 - x1823 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=types[float]) + x1823 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1823 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1816, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 del x1816 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1823, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1823 - x1824 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=types[float]) + x1824 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1824 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1812, (2, 3, 4, 0), (2, 3, 4, 1)) del x1812 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1824, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1824 - x1825 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1825 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1825 += einsum(f.bb.oo, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) t3new_bbbbbb += einsum(x1825, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1825, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x1825 - x1826 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1826 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1826 += einsum(f.bb.vv, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) t3new_bbbbbb += einsum(x1826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_bbbbbb += einsum(x1826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x1826 - x1827 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1827 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1827 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.oovO, (4, 1, 5, 6), (6, 3, 0, 4, 2, 5)) * -1.0 t3new_bbbbbb += einsum(x1827, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1827, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1827, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1827, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1827 - x1828 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1828 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1828 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ooOV, (4, 1, 5, 6), (5, 6, 0, 4, 2, 3)) t3new_bbbbbb += einsum(x1828, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1828, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1828 - x1829 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1829 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1829 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoO, (4, 5, 1, 6), (6, 3, 0, 4, 2, 5)) * -1.0 t3new_bbbbbb += einsum(x1829, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1829, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1829, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1829, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 del x1829 - x1830 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1830 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1830 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.oOoV, (1, 4, 5, 6), (4, 6, 0, 5, 2, 3)) t3new_bbbbbb += einsum(x1830, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1830, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1830 - x1831 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1831 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1831 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.oooV, (4, 0, 5, 6), (1, 6, 5, 4, 2, 3)) * -1.0 t3new_bbbbbb += einsum(x1831, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1831, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x1831 - x1832 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1832 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1832 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 0, 5, 6), (1, 3, 4, 5, 2, 6)) t3new_bbbbbb += einsum(x1832, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1832, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1832, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1832, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1832 - x1833 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1833 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1833 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (4, 5, 3, 6), (1, 6, 0, 4, 2, 5)) * -1.0 t3new_bbbbbb += einsum(x1833, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1833, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1833, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1833, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 del x1833 - x1834 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1834 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1834 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.oVvv, (4, 5, 6, 3), (1, 5, 0, 4, 2, 6)) * -1.0 t3new_bbbbbb += einsum(x1834, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1834, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1834, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1834, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1834 - x1835 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1835 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1835 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.vvvO, (4, 2, 5, 6), (6, 3, 0, 1, 5, 4)) * -1.0 t3new_bbbbbb += einsum(x1835, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1835, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x1835 - x1836 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1836 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1836 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.vvOV, (4, 3, 5, 6), (5, 6, 0, 1, 2, 4)) t3new_bbbbbb += einsum(x1836, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1836, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x1836 - x1837 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1837 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1837 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.vOvV, (4, 5, 3, 6), (5, 6, 0, 1, 2, 4)) t3new_bbbbbb += einsum(x1837, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1837, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x1837 - x1838 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1838 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1838 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (5, 7, 3, 4, 2, 6)) t3new_bbbbbb += einsum(x1838, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 1, 2)) * 2.0 t3new_bbbbbb += einsum(x1838, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 1, 2)) * -2.0 del x1838 - x1839 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1839 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1839 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (5, 3, 7, 4, 6, 2)) t3new_bbbbbb += einsum(x1839, (0, 1, 2, 3, 4, 5), (3, 0, 1, 5, 4, 2)) * 2.0 t3new_bbbbbb += einsum(x1839, (0, 1, 2, 3, 4, 5), (3, 0, 1, 4, 5, 2)) * -2.0 del x1839 - x1840 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1840 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1840 += einsum(v.bbbb.ooOO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 3, 5, 6, 7), (2, 7, 4, 0, 5, 6)) t3new_bbbbbb += einsum(x1840, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1840, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x1840 - x1841 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1841 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1841 += einsum(v.bbbb.oovv, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 6, 2)) t3new_bbbbbb += einsum(x1841, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1841, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 t3new_bbbbbb += einsum(x1841, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1841, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 del x1841 - x1842 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1842 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1842 += einsum(v.bbbb.ooVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 7, 3), (5, 2, 4, 0, 6, 7)) t3new_bbbbbb += einsum(x1842, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1842, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x1842 - x1843 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1843 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1843 += einsum(v.bbbb.oVoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 7, 3), (5, 1, 4, 0, 6, 7)) t3new_bbbbbb += einsum(x1843, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1843, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x1843 - x1844 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1844 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1844 += einsum(v.bbbb.vOvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 6, 0)) t3new_bbbbbb += einsum(x1844, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1844, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x1844 - x1845 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1845 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1845 += einsum(v.bbbb.vvOO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 6, 0)) t3new_bbbbbb += einsum(x1845, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1845, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 del x1845 - x1846 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1846 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1846 += einsum(v.bbbb.vvVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 7, 0)) t3new_bbbbbb += einsum(x1846, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1846, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x1846 - x1847 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1847 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1847 += einsum(x4, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 0, 3, 4, 5, 6), (3, 6, 1, 2, 4, 5)) del x4 t3new_bbbbbb += einsum(x1847, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1847, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x1847 - x1848 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1848 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1848 += einsum(f.bb.ov, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) - x1849 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1849 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1849 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1848, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) del x1848 t3new_bbbbbb += einsum(x1849, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_bbbbbb += einsum(x1849, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x1849 - x1850 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1850 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1850 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x926, (4, 5, 1, 6), (4, 5, 6, 0, 2, 3)) del x926 t3new_bbbbbb += einsum(x1850, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x1850, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x1850 - x1851 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1851 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1851 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x220, (0, 4, 5, 6), (1, 3, 4, 5, 2, 6)) del x220 t3new_bbbbbb += einsum(x1851, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x1851, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x1851 - x1852 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1852 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1852 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x927, (4, 1, 5, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x927 t3new_bbbbbb += einsum(x1852, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 @@ -8281,11 +8280,11 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1852, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x1852, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x1852 - x1853 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1853 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x1853 += einsum(f.bb.ov, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,sVb)], (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 - t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1853, (4, 0, 5, 6), (5, 6, 1, 2, 3, 4)) * -4.0 + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1853, (4, 0, 5, 6), (6, 5, 1, 2, 3, 4)) * 4.0 del x1853 - x1854 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1854 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1854 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x942, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) * -1.0 del x942 t3new_bbbbbb += einsum(x1854, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -8293,7 +8292,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1854, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1854, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1854 - x1855 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1855 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1855 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x943, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 del x943 t3new_bbbbbb += einsum(x1855, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -8301,7 +8300,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1855, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1855, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1855 - x1856 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1856 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1856 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x945, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 del x945 t3new_bbbbbb += einsum(x1856, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -8309,35 +8308,35 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1856, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1856, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1856 - x1857 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1857 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1857 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x171, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x171 t3new_bbbbbb += einsum(x1857, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1857, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1857 - x1858 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1858 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1858 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvO, (4, 2, 5, 6), (6, 3, 0, 1, 4, 5)) * -1.0 - x1859 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1859 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1859 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1858, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x1858 t3new_bbbbbb += einsum(x1859, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1859, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x1859 - x1860 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1860 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1860 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (5, 6, 0, 1, 4, 2)) - x1861 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1861 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1861 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1860, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x1860 t3new_bbbbbb += einsum(x1861, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1861, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x1861 - x1862 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1862 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1862 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x947, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x947 t3new_bbbbbb += einsum(x1862, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1862, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1862 - x1863 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1863 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1863 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x948, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 del x948 t3new_bbbbbb += einsum(x1863, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -8345,31 +8344,31 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1863, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1863, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1863 - x1864 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1864 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1864 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.oOvV, (4, 5, 3, 6), (5, 6, 0, 1, 4, 2)) - x1865 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1865 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1865 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1864, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x1864 t3new_bbbbbb += einsum(x1865, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1865, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x1865 - x1866 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1866 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1866 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.oOvv, (4, 5, 6, 2), (5, 3, 0, 1, 4, 6)) * -1.0 - x1867 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1867 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1867 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1866, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x1866 t3new_bbbbbb += einsum(x1867, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1867, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x1867 - x1868 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1868 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x1868 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oovV, (2, 3, 1, 4), (4, 0, 2, 3)) - x1869 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1869 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1869 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1868, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x1868 t3new_bbbbbb += einsum(x1869, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1869, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1869 - x1870 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1870 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1870 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x222, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x222 t3new_bbbbbb += einsum(x1870, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -8377,9 +8376,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1870, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1870, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1870 - x1871 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1871 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1871 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.oooo, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) - x1872 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1872 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1872 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1871, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) del x1871 t3new_bbbbbb += einsum(x1872, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -8387,9 +8386,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1872, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1872, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1872 - x1873 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1873 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1873 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.oovV, (4, 5, 3, 6), (1, 6, 0, 4, 5, 2)) * -1.0 - x1874 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1874 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1874 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1873, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x1873 t3new_bbbbbb += einsum(x1874, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -8397,9 +8396,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1874, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1874, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1874 - x1875 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1875 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1875 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.oovv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x1876 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1876 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1876 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1875, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x1875 t3new_bbbbbb += einsum(x1876, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -8407,24 +8406,24 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1876, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1876, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1876 - x1877 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1877 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x1877 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovoV, (2, 1, 3, 4), (4, 0, 3, 2)) - x1878 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1878 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1878 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1877, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x1877 t3new_bbbbbb += einsum(x1878, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1878, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1878 - x1879 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1879 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1879 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x16, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) t3new_bbbbbb += einsum(x1879, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1879, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1879, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1879, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 del x1879 - x1880 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1880 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1880 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovoV, (4, 3, 5, 6), (1, 6, 0, 5, 4, 2)) * -1.0 - x1881 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1881 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1881 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1880, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x1880 t3new_bbbbbb += einsum(x1881, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -8432,46 +8431,46 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1881, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1881, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1881 - x1882 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1882 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1882 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1413, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) t3new_bbbbbb += einsum(x1882, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1882, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1882, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1882, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1882 - x1883 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1883 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1883 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x954, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) del x954 t3new_bbbbbb += einsum(x1883, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1883, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1883 - x1884 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1884 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1884 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x955, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x955 t3new_bbbbbb += einsum(x1884, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1884, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1884 - x1885 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1885 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1885 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x957, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x957 t3new_bbbbbb += einsum(x1885, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1885, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x1885 - x1886 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1886 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1886 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x958, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x958 t3new_bbbbbb += einsum(x1886, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1886, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x1886 - x1887 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1887 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x1887 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oooo, (2, 3, 4, 0), (1, 2, 3, 4)) - x1888 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1888 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1888 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1887, (4, 5, 0, 6), (1, 4, 6, 5, 2, 3)) * -1.0 del x1887 t3new_bbbbbb += einsum(x1888, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1888, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1888 - x1889 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1889 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1889 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x960, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x960 t3new_bbbbbb += einsum(x1889, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -8479,14 +8478,14 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1889, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1889, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1889 - x1890 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1890 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1890 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x961, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 t3new_bbbbbb += einsum(x1890, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1890, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1890, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1890, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 del x1890 - x1891 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1891 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1891 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x963, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 del x963 t3new_bbbbbb += einsum(x1891, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 @@ -8494,7 +8493,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1891, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1891, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 del x1891 - x1892 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1892 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1892 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x964, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) * -1.0 del x964 t3new_bbbbbb += einsum(x1892, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 @@ -8502,9 +8501,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1892, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1892, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 del x1892 - x1893 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x1893 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) x1893 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.vvvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x1894 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1894 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1894 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1893, (2, 3, 4, 1, 5, 6), (2, 3, 0, 4, 5, 6)) del x1893 t3new_bbbbbb += einsum(x1894, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -8512,13 +8511,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1894, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1894, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1894 - x1895 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1895 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1895 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x970, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x970 t3new_bbbbbb += einsum(x1895, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1895, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1895 - x1896 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1896 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1896 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x972, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x972 t3new_bbbbbb += einsum(x1896, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -8526,52 +8525,52 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1896, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1896, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1896 - x1897 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1897 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1897 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x974, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x974 t3new_bbbbbb += einsum(x1897, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1897, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1897 - x1898 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1898 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1898 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 t3new_bbbbbb += einsum(x1898, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1898, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1898, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1898, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 del x1898 - x1899 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1899 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1899 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x976, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) del x976 t3new_bbbbbb += einsum(x1899, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1899, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x1899 - x1900 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1900 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1900 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x977, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x977 t3new_bbbbbb += einsum(x1900, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1900, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x1900 - x1901 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x1901 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) x1901 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x1902 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1902 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1902 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1901, (4, 5, 2, 6), (4, 3, 0, 1, 6, 5)) * -1.0 del x1901 t3new_bbbbbb += einsum(x1902, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1902, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x1902 - x1903 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1903 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1903 += einsum(x6, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) del x6 t3new_bbbbbb += einsum(x1903, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1903, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x1903 - x1904 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1904 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1904 += einsum(x5, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) del x5 t3new_bbbbbb += einsum(x1904, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1904, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x1904 - x1905 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1905 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1905 += einsum(x140, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 2, 7), (5, 7, 1, 4, 6, 3)) del x140 t3new_bbbbbb += einsum(x1905, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 @@ -8579,23 +8578,23 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1905, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1905, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 del x1905 - x1906 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1906 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1906 += einsum(x1201, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 2, 4, 6)) del x1201 t3new_bbbbbb += einsum(x1906, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 1, 2)) * 2.0 t3new_bbbbbb += einsum(x1906, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 1, 2)) * -2.0 del x1906 - x1907 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1907 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1907 += einsum(v.aabb.ovoO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (5, 3, 7, 4, 2, 6)) - x1908 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1908 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1908 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1907, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x1907 t3new_bbbbbb += einsum(x1908, (0, 1, 2, 3, 4, 5), (3, 0, 1, 4, 5, 2)) * -2.0 t3new_bbbbbb += einsum(x1908, (0, 1, 2, 3, 4, 5), (3, 0, 1, 5, 4, 2)) * 2.0 del x1908 - x1909 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1909 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1909 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 3, 6)) - x1910 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1910 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1910 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1909, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x1909 t3new_bbbbbb += einsum(x1910, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 @@ -8603,26 +8602,26 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1910, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1910, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x1910 - x1911 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1911 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1911 += einsum(x1210, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 4, 2, 6)) del x1210 t3new_bbbbbb += einsum(x1911, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -2.0 t3new_bbbbbb += einsum(x1911, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 2.0 del x1911 - x1912 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1912 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1912 += einsum(x1215, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 6, 3)) del x1215 t3new_bbbbbb += einsum(x1912, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 t3new_bbbbbb += einsum(x1912, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 del x1912 - x1913 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) - x1913 += einsum(x234, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 7), (4, 7, 0, 1, 5, 6)) + x1913 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) + x1913 += einsum(x234, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (3, 2, 4, 5, 6, 7), (4, 7, 0, 1, 5, 6)) * -1.0 t3new_bbbbbb += einsum(x1913, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1913, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x1913 - x1914 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1914 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1914 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) - x1915 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1915 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1915 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1914, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x1914 t3new_bbbbbb += einsum(x1915, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 @@ -8630,9 +8629,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1915, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1915, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x1915 - x1916 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1916 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1916 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) - x1917 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1917 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1917 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1916, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x1916 t3new_bbbbbb += einsum(x1917, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 @@ -8640,25 +8639,25 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1917, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1917, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x1917 - x1918 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1918 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1918 += einsum(x7, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) del x7 t3new_bbbbbb += einsum(x1918, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1918, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x1918 - x1919 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1919 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1919 += einsum(x8, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) del x8 t3new_bbbbbb += einsum(x1919, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1919, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x1919 - x1920 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1920 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1920 += einsum(x1005, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x1005 t3new_bbbbbb += einsum(x1920, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1920, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x1920 - x1921 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1921 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1921 += einsum(x160, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) del x160 t3new_bbbbbb += einsum(x1921, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 @@ -8666,7 +8665,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1921, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1921, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 del x1921 - x1922 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1922 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1922 += einsum(x161, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 2, 7), (5, 7, 0, 4, 6, 3)) del x161 t3new_bbbbbb += einsum(x1922, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 @@ -8674,99 +8673,99 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1922, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1922, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 del x1922 - x1923 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1923 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1923 += einsum(x1006, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x1006 t3new_bbbbbb += einsum(x1923, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1923, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x1923 - x1924 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1924 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1924 += einsum(x1007, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 0), (5, 1, 2, 4, 6, 7)) del x1007 t3new_bbbbbb += einsum(x1924, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1924, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x1924 - x1925 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1925 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1925 += einsum(v.bbbb.ovOO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 0, 6)) - x1926 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1926 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1926 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1925, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x1925 t3new_bbbbbb += einsum(x1926, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_bbbbbb += einsum(x1926, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x1926 - x1927 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1927 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1927 += einsum(v.bbbb.oOvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 0, 6)) - x1928 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1928 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1928 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1927, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x1927 t3new_bbbbbb += einsum(x1928, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_bbbbbb += einsum(x1928, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x1928 - x1929 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) - x1929 += einsum(v.bbbb.ovvv, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) - x1930 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1929 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) + x1929 += einsum(v.bbbb.ovvv, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) * -1.0 + x1930 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1930 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1929, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x1929 t3new_bbbbbb += einsum(x1930, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_bbbbbb += einsum(x1930, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x1930 - x1931 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1931 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1931 += einsum(v.bbbb.ovVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 0, 7)) - x1932 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1932 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1932 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1931, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x1931 t3new_bbbbbb += einsum(x1932, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_bbbbbb += einsum(x1932, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x1932 - x1933 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1933 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1933 += einsum(x10, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) del x10 t3new_bbbbbb += einsum(x1933, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1933, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x1933 - x1934 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1934 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1934 += einsum(x9, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 0, 6), (4, 6, 2, 3, 5, 1)) del x9 t3new_bbbbbb += einsum(x1934, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1934, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 del x1934 - x1935 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1935 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1935 += einsum(x1015, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 7, 1), (5, 0, 4, 3, 6, 7)) del x1015 t3new_bbbbbb += einsum(x1935, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1935, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x1935 - x1936 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1936 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1936 += einsum(x1016, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 4, 2, 6, 7)) del x1016 t3new_bbbbbb += einsum(x1936, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1936, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x1936 - x1937 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1937 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1937 += einsum(x1020, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 7, 2)) del x1020 t3new_bbbbbb += einsum(x1937, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1937, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x1937 - x1938 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1938 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1938 += einsum(x1023, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 1, 5, 6, 7), (0, 7, 4, 2, 5, 6)) del x1023 t3new_bbbbbb += einsum(x1938, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1938, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x1938 - x1939 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1939 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1939 += einsum(x1025, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 6, 2)) del x1025 t3new_bbbbbb += einsum(x1939, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1939, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 del x1939 - x1940 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1940 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1940 += einsum(x1026, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 2, 7), (0, 7, 4, 5, 6, 3)) del x1026 t3new_bbbbbb += einsum(x1940, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1940, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x1940 - x1941 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1941 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1941 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1034, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x1034 t3new_bbbbbb += einsum(x1941, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -8774,13 +8773,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1941, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1941, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1941 - x1942 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1942 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1942 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1031, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1031 t3new_bbbbbb += einsum(x1942, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1942, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x1942 - x1943 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1943 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1943 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x232, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x232 t3new_bbbbbb += einsum(x1943, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -8788,15 +8787,15 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1943, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1943, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1943 - x1944 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1944 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x1944 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 5), (3, 1, 4, 5)) * -1.0 - x1945 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1945 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1945 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1944, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x1944 t3new_bbbbbb += einsum(x1945, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1945, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1945 - x1946 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1946 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1946 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1051, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x1051 t3new_bbbbbb += einsum(x1946, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -8804,7 +8803,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1946, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1946, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1946 - x1947 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1947 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1947 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x915, (4, 5, 0, 6, 2, 7), (4, 5, 6, 1, 3, 7)) del x915 t3new_bbbbbb += einsum(x1947, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 @@ -8812,7 +8811,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1947, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1947, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 del x1947 - x1948 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1948 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1948 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1063, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x1063 t3new_bbbbbb += einsum(x1948, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -8820,7 +8819,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1948, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1948, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1948 - x1949 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1949 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1949 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1044, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 del x1044 t3new_bbbbbb += einsum(x1949, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 @@ -8828,33 +8827,33 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1949, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1949, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 del x1949 - x1950 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1950 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1950 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1042, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x1042 t3new_bbbbbb += einsum(x1950, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1950, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1950 - x1951 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1951 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1951 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1049, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x1049 t3new_bbbbbb += einsum(x1951, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1951, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x1951 - x1952 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x1952 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) x1952 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) * -1.0 - x1953 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1953 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1953 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1952, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 del x1952 t3new_bbbbbb += einsum(x1953, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1953, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x1953 - x1954 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1954 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1954 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1054, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x1054 t3new_bbbbbb += einsum(x1954, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1954, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x1954 - x1955 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1955 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1955 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1073, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x1073 t3new_bbbbbb += einsum(x1955, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 @@ -8862,13 +8861,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1955, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x1955, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x1955 - x1956 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1956 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1956 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1067, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1067 t3new_bbbbbb += einsum(x1956, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x1956, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x1956 - x1957 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1957 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1957 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1072, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x1072 t3new_bbbbbb += einsum(x1957, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 @@ -8876,13 +8875,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1957, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x1957, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x1957 - x1958 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1958 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1958 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1069, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1069 t3new_bbbbbb += einsum(x1958, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x1958, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x1958 - x1959 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1959 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1959 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1070, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x1070 t3new_bbbbbb += einsum(x1959, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 @@ -8890,15 +8889,15 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1959, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1959, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x1959 - x1960 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) - x1960 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (1, 4, 0, 5), (5, 2, 3, 4)) - x1961 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1960 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) + x1960 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (0, 4, 1, 5), (5, 2, 3, 4)) * -1.0 + x1961 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1961 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1960, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 del x1960 t3new_bbbbbb += einsum(x1961, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1961, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x1961 - x1962 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1962 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1962 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x238, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x238 t3new_bbbbbb += einsum(x1962, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 @@ -8906,13 +8905,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1962, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x1962, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 del x1962 - x1963 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1963 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1963 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1074, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x1074 t3new_bbbbbb += einsum(x1963, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x1963, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 del x1963 - x1964 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1964 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1964 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x236, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x236 t3new_bbbbbb += einsum(x1964, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 @@ -8920,22 +8919,22 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1964, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x1964, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 del x1964 - x1965 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1965 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1965 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1075, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x1075 t3new_bbbbbb += einsum(x1965, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x1965, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 del x1965 - x1966 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1966 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x1966 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x1967 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) - x1967 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1966, (4, 5, 6, 7, 0, 1), (4, 5, 6, 7, 2, 3)) + x1967 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) + x1967 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1966, (4, 5, 6, 0, 7, 1), (4, 5, 6, 7, 2, 3)) t3new_bbbbbb += einsum(x1967, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1967, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1967, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1967, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1967 - x1968 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1968 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1968 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1078, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 del x1078 t3new_bbbbbb += einsum(x1968, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 @@ -8943,15 +8942,15 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1968, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x1968, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 del x1968 - x1969 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1969 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x1969 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 2), (3, 0, 4, 5)) * -1.0 - x1970 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1970 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1970 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1969, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x1969 t3new_bbbbbb += einsum(x1970, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x1970, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 del x1970 - x1971 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1971 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1971 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1079, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 del x1079 t3new_bbbbbb += einsum(x1971, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 @@ -8959,15 +8958,15 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1971, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x1971, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 del x1971 - x1972 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x1972 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x1972 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 2), (3, 0, 4, 5)) * -1.0 - x1973 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1973 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1973 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1972, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x1972 t3new_bbbbbb += einsum(x1973, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x1973, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 del x1973 - x1974 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1974 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1974 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1094, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x1094 t3new_bbbbbb += einsum(x1974, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 @@ -8979,7 +8978,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1974, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1974, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 del x1974 - x1975 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1975 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1975 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1099, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x1099 t3new_bbbbbb += einsum(x1975, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 @@ -8987,7 +8986,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1975, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x1975, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x1975 - x1976 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1976 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1976 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1083, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1083 t3new_bbbbbb += einsum(x1976, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 @@ -8995,7 +8994,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1976, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1976, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x1976 - x1977 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1977 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1977 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1098, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x1098 t3new_bbbbbb += einsum(x1977, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 @@ -9003,47 +9002,47 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1977, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x1977, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x1977 - x1978 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1978 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1978 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1086, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x1086 t3new_bbbbbb += einsum(x1978, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x1978, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x1978 - x1979 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) - x1979 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (4, 2, 3, 5), (5, 0, 1, 4)) * -1.0 - x1980 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1979 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) + x1979 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (4, 3, 2, 5), (5, 0, 1, 4)) + x1980 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1980 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1979, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x1979 t3new_bbbbbb += einsum(x1980, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1980, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x1980 - x1981 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1981 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1981 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1087, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x1087 t3new_bbbbbb += einsum(x1981, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x1981, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x1981 - x1982 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1982 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1982 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1088, (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) t3new_bbbbbb += einsum(x1982, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 t3new_bbbbbb += einsum(x1982, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x1982, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 t3new_bbbbbb += einsum(x1982, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x1982 - x1983 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1983 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1983 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1089, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 2, 7)) t3new_bbbbbb += einsum(x1983, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 t3new_bbbbbb += einsum(x1983, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x1983, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 t3new_bbbbbb += einsum(x1983, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x1983 - x1984 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1984 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1984 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1090, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) del x1090 t3new_bbbbbb += einsum(x1984, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 t3new_bbbbbb += einsum(x1984, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x1984 - x1985 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1985 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1985 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x244, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x244 t3new_bbbbbb += einsum(x1985, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -9051,13 +9050,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1985, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1985, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x1985 - x1986 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1986 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1986 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1091, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x1091 t3new_bbbbbb += einsum(x1986, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 t3new_bbbbbb += einsum(x1986, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x1986 - x1987 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1987 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1987 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1092, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 del x1092 t3new_bbbbbb += einsum(x1987, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 @@ -9069,7 +9068,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1987, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1987, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x1987 - x1988 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1988 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1988 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1101, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x1101 t3new_bbbbbb += einsum(x1988, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 @@ -9077,7 +9076,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1988, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 t3new_bbbbbb += einsum(x1988, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x1988 - x1989 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1989 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1989 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1100, (4, 5, 3, 6), (1, 4, 0, 5, 2, 6)) * -1.0 del x1100 t3new_bbbbbb += einsum(x1989, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 @@ -9085,23 +9084,23 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1989, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 t3new_bbbbbb += einsum(x1989, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x1989 - x1990 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x1990 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) x1990 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) * -1.0 - x1991 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1991 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1991 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1990, (4, 5, 2, 6), (4, 3, 0, 1, 5, 6)) * -1.0 del x1990 t3new_bbbbbb += einsum(x1991, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 t3new_bbbbbb += einsum(x1991, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x1991 - x1992 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) + x1992 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) x1992 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (0, 3, 4, 5), (1, 2, 4, 5)) * -1.0 - x1993 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1993 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1993 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1992, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 del x1992 t3new_bbbbbb += einsum(x1993, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 t3new_bbbbbb += einsum(x1993, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x1993 - x1994 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1994 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1994 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x917, (4, 5, 0, 6, 2, 7), (4, 5, 1, 6, 3, 7)) del x917 t3new_bbbbbb += einsum(x1994, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -9109,7 +9108,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1994, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1994, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1994 - x1995 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1995 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1995 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1171, (4, 5, 0, 6, 2, 7), (4, 5, 1, 6, 3, 7)) del x1171 t3new_bbbbbb += einsum(x1995, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -9117,31 +9116,31 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1995, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x1995, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1995 - x1996 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1996 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1996 += einsum(x1337, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) del x1337 t3new_bbbbbb += einsum(x1996, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * -2.0 t3new_bbbbbb += einsum(x1996, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * 2.0 del x1996 - x1997 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x1997 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1997 += einsum(x1334, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) del x1334 t3new_bbbbbb += einsum(x1997, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 2.0 t3new_bbbbbb += einsum(x1997, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -2.0 del x1997 - x1998 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1998 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1998 += einsum(x1344, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 3, 6)) del x1344 t3new_bbbbbb += einsum(x1998, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 t3new_bbbbbb += einsum(x1998, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 del x1998 - x1999 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x1999 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1999 += einsum(x1346, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 3, 6)) del x1346 t3new_bbbbbb += einsum(x1999, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 2.0 t3new_bbbbbb += einsum(x1999, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -2.0 del x1999 - x2000 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2000 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2000 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x918, (4, 5, 0, 6, 2, 7), (4, 5, 1, 6, 3, 7)) del x918 t3new_bbbbbb += einsum(x2000, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 @@ -9149,43 +9148,43 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2000, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 t3new_bbbbbb += einsum(x2000, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x2000 - x2001 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2001 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2001 += einsum(x14, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x14 t3new_bbbbbb += einsum(x2001, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x2001, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x2001 - x2002 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2002 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2002 += einsum(x177, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) del x177 t3new_bbbbbb += einsum(x2002, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_bbbbbb += einsum(x2002, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x2002 - x2003 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2003 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2003 += einsum(x1141, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x1141 t3new_bbbbbb += einsum(x2003, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_bbbbbb += einsum(x2003, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 del x2003 - x2004 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2004 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2004 += einsum(x1148, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x1148 t3new_bbbbbb += einsum(x2004, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_bbbbbb += einsum(x2004, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x2004 - x2005 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2005 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2005 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1130, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x1130 t3new_bbbbbb += einsum(x2005, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 t3new_bbbbbb += einsum(x2005, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x2005 - x2006 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2006 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2006 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1131, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x1131 t3new_bbbbbb += einsum(x2006, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x2006, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 del x2006 - x2007 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2007 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2007 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1133, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) del x1133 t3new_bbbbbb += einsum(x2007, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 @@ -9193,20 +9192,20 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2007, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 t3new_bbbbbb += einsum(x2007, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 del x2007 - x2008 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2008 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2008 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x250, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 t3new_bbbbbb += einsum(x2008, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 t3new_bbbbbb += einsum(x2008, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x2008, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 t3new_bbbbbb += einsum(x2008, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 del x2008 - x2009 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2009 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2009 += einsum(x1371, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) del x1371 t3new_bbbbbb += einsum(x2009, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 4.0 t3new_bbbbbb += einsum(x2009, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -4.0 del x2009 - x2010 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2010 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2010 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1146, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x1146 t3new_bbbbbb += einsum(x2010, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 @@ -9214,27 +9213,27 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2010, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 t3new_bbbbbb += einsum(x2010, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 del x2010 - x2011 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2011 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2011 += einsum(x1366, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 3, 6)) del x1366 t3new_bbbbbb += einsum(x2011, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 4.0 t3new_bbbbbb += einsum(x2011, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -4.0 del x2011 - x2012 = np.zeros((naocc[1], naocc[1], navir[1], nocc[0], nocc[1], nvir[0]), dtype=types[float]) + x2012 = np.zeros((naocc[1], naocc[1], navir[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x2012 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ovvO, (4, 5, 2, 6), (1, 6, 3, 4, 0, 5)) - x2013 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2013 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2013 += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x2012, (6, 2, 7, 1, 8, 4), (6, 7, 5, 8, 0, 3)) del x2012 t3new_bbbbbb += einsum(x2013, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 4.0 t3new_bbbbbb += einsum(x2013, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -4.0 del x2013 - x2014 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2014 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2014 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x250, (4, 5, 0, 6), (1, 4, 3, 5, 2, 6)) del x250 t3new_bbbbbb += einsum(x2014, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 4.0 t3new_bbbbbb += einsum(x2014, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -4.0 del x2014 - x2015 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2015 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2015 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1153, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) del x1153 t3new_bbbbbb += einsum(x2015, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 @@ -9242,18 +9241,18 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2015, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_bbbbbb += einsum(x2015, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x2015 - x2016 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2016 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2016 += einsum(x265, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 t3new_bbbbbb += einsum(x2016, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 t3new_bbbbbb += einsum(x2016, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 del x2016 - x2017 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2017 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2017 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1155, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x1155 t3new_bbbbbb += einsum(x2017, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 t3new_bbbbbb += einsum(x2017, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 del x2017 - x2018 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2018 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2018 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1156, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) del x1156 t3new_bbbbbb += einsum(x2018, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 @@ -9261,7 +9260,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2018, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -12.0 t3new_bbbbbb += einsum(x2018, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 12.0 del x2018 - x2019 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2019 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2019 += einsum(x18, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 del x18 t3new_bbbbbb += einsum(x2019, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 @@ -9269,7 +9268,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2019, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x2019, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x2019 - x2020 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2020 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2020 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1157, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) del x1157 t3new_bbbbbb += einsum(x2020, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 @@ -9277,10 +9276,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2020, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 12.0 t3new_bbbbbb += einsum(x2020, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 del x2020 - x2021 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2021 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2021 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) * -1.0 - t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x2021, (4, 5, 6, 7, 1, 0), (6, 7, 4, 2, 3, 5)) * -6.0 - x2022 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x2021, (4, 5, 6, 7, 0, 1), (7, 6, 4, 2, 3, 5)) * -6.0 + x2022 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2022 += einsum(x183, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 del x183 t3new_bbbbbb += einsum(x2022, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 @@ -9288,15 +9287,15 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2022, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_bbbbbb += einsum(x2022, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x2022 - x2023 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) - x2023 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 0, 4, 5, 6, 3), (4, 5, 6, 1)) - t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2023, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * -6.0 + x2023 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) + x2023 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (0, 2, 4, 5, 6, 3), (4, 5, 6, 1)) * -1.0 + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2023, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * 6.0 del x2023 - x2024 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) - x2024 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 0, 4, 5, 6, 3), (4, 5, 6, 1)) - t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2024, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * -6.0 + x2024 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) + x2024 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (0, 2, 4, 5, 6, 3), (4, 5, 6, 1)) * -1.0 + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2024, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * 6.0 del x2024 - x2025 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2025 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2025 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1158, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x1158 t3new_bbbbbb += einsum(x2025, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 @@ -9304,25 +9303,25 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2025, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 12.0 t3new_bbbbbb += einsum(x2025, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 del x2025 - x2026 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2026 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2026 += einsum(x1175, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x1175 t3new_bbbbbb += einsum(x2026, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 t3new_bbbbbb += einsum(x2026, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 del x2026 - x2027 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2027 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2027 += einsum(x1176, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x1176 t3new_bbbbbb += einsum(x2027, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 t3new_bbbbbb += einsum(x2027, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 12.0 del x2027 - x2028 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2028 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2028 += einsum(x1177, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) del x1177 t3new_bbbbbb += einsum(x2028, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_bbbbbb += einsum(x2028, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x2028 - x2029 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2029 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2029 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1159, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x1159 t3new_bbbbbb += einsum(x2029, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 @@ -9330,7 +9329,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2029, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 t3new_bbbbbb += einsum(x2029, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x2029 - x2030 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2030 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2030 += einsum(x1181, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x1181 t3new_bbbbbb += einsum(x2030, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 @@ -9338,7 +9337,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2030, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 t3new_bbbbbb += einsum(x2030, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 del x2030 - x2031 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2031 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2031 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1160, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x1160 t3new_bbbbbb += einsum(x2031, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 @@ -9346,47 +9345,47 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2031, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 t3new_bbbbbb += einsum(x2031, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x2031 - x2032 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2032 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2032 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 3, 2, 1, 6), (6, 4, 5, 0)) t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2032, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * 12.0 del x2032 - x2033 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2033 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2033 += einsum(x1184, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x1184 t3new_bbbbbb += einsum(x2033, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 t3new_bbbbbb += einsum(x2033, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 del x2033 - x2034 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2034 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2034 += einsum(x1185, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) del x1185 t3new_bbbbbb += einsum(x2034, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x2034, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x2034 - x2035 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2035 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2035 += einsum(x1187, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x1187 t3new_bbbbbb += einsum(x2035, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 t3new_bbbbbb += einsum(x2035, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 del x2035 - x2036 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2036 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2036 += einsum(t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (0, 1, 2, 3, 4, 5), x1188, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) del x1188 t3new_bbbbbb += einsum(x2036, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x2036, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x2036 - x2037 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2037 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2037 += einsum(t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (0, 1, 2, 3, 4, 5), x1189, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) del x1189 t3new_bbbbbb += einsum(x2037, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x2037, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x2037 - x2038 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2038 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2038 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x254, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x254 t3new_bbbbbb += einsum(x2038, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 t3new_bbbbbb += einsum(x2038, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 del x2038 - x2039 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2039 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2039 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1231, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x1231 t3new_bbbbbb += einsum(x2039, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -9394,7 +9393,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2039, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2039, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2039 - x2040 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2040 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2040 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1232, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x1232 t3new_bbbbbb += einsum(x2040, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -9402,20 +9401,20 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2040, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x2040, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2040 - x2041 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2041 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2041 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoO, (4, 2, 5, 6), (6, 3, 0, 1, 5, 4)) * -1.0 - x2042 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2042 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2042 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2041, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x2041 - x2043 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2043 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2043 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2042, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2042 t3new_bbbbbb += einsum(x2043, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2043, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x2043 - x2044 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2044 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2044 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x234, (4, 5, 6, 0), (1, 3, 4, 6, 5, 2)) - x2045 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2045 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2045 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2044, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x2044 t3new_bbbbbb += einsum(x2045, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -9423,10 +9422,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2045, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2045, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2045 - x2046 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2046 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2046 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x234, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) del x234 - x2047 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2047 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2047 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2046, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2046 t3new_bbbbbb += einsum(x2047, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -9434,10 +9433,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2047, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x2047, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2047 - x2048 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2048 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2048 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1966, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x1966 - x2049 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2049 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2049 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2048, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x2048 t3new_bbbbbb += einsum(x2049, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -9445,15 +9444,15 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2049, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2049, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2049 - x2050 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2050 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2050 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1234, (2, 3, 4, 1), (2, 0, 3, 4)) - x2051 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2051 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2051 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2050, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x2050 t3new_bbbbbb += einsum(x2051, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2051, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x2051 - x2052 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2052 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2052 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x269, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x269 t3new_bbbbbb += einsum(x2052, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -9461,10 +9460,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2052, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2052, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2052 - x2053 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2053 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2053 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1234, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 del x1234 - x2054 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2054 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2054 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2053, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2053 t3new_bbbbbb += einsum(x2054, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -9472,10 +9471,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2054, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x2054, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2054 - x2055 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2055 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2055 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1236, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 del x1236 - x2056 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2056 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2056 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2055, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2055 t3new_bbbbbb += einsum(x2056, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -9483,10 +9482,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2056, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2056, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2056 - x2057 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2057 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2057 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1088, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) del x1088 - x2058 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2058 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2058 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2057, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2057 t3new_bbbbbb += einsum(x2058, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -9494,10 +9493,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2058, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2058, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2058 - x2059 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2059 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2059 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1089, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) del x1089 - x2060 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2060 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2060 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2059, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2059 t3new_bbbbbb += einsum(x2060, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -9505,56 +9504,56 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2060, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x2060, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2060 - x2061 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2061 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2061 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1239, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1239 t3new_bbbbbb += einsum(x2061, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2061, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2061 - x2062 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2062 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2062 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1241, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1241 t3new_bbbbbb += einsum(x2062, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2062, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2062 - x2063 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2063 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2063 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1240, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x1240 - x2064 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2064 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2064 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2063, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2063 t3new_bbbbbb += einsum(x2064, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x2064, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x2064 - x2065 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2065 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2065 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1238, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x1238 - x2066 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2066 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2066 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2065, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2065 t3new_bbbbbb += einsum(x2066, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2066, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x2066 - x2067 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2067 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2067 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1247, (2, 3, 4, 1), (2, 0, 3, 4)) - x2068 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2068 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2068 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2067, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x2067 t3new_bbbbbb += einsum(x2068, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2068, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2068 - x2069 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2069 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2069 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1245, (2, 3, 4, 1), (2, 0, 4, 3)) - x2070 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2070 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2070 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2069, (4, 5, 0, 6), (1, 4, 5, 6, 2, 3)) * -1.0 del x2069 t3new_bbbbbb += einsum(x2070, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2070, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2070 - x2071 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2071 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2071 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1245, (4, 5, 6, 3), (1, 4, 0, 6, 5, 2)) * -1.0 del x1245 - x2072 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2072 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2072 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2071, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x2071 t3new_bbbbbb += einsum(x2072, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -9562,10 +9561,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2072, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2072, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2072 - x2073 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2073 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2073 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1247, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 del x1247 - x2074 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2074 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2074 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2073, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2073 t3new_bbbbbb += einsum(x2074, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -9573,7 +9572,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2074, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2074, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2074 - x2075 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2075 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2075 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1250, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 del x1250 t3new_bbbbbb += einsum(x2075, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -9581,7 +9580,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2075, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x2075, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2075 - x2076 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2076 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2076 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1251, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 del x1251 t3new_bbbbbb += einsum(x2076, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -9589,7 +9588,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2076, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2076, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2076 - x2077 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2077 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2077 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1255, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 del x1255 t3new_bbbbbb += einsum(x2077, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -9597,7 +9596,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2077, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2077, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2077 - x2078 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2078 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2078 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1256, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) * -1.0 del x1256 t3new_bbbbbb += einsum(x2078, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -9605,19 +9604,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2078, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2078, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2078 - x2079 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2079 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2079 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1259, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1259 t3new_bbbbbb += einsum(x2079, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2079, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2079 - x2080 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2080 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2080 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1261, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1261 t3new_bbbbbb += einsum(x2080, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2080, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2080 - x2081 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2081 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2081 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1263, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 del x1263 t3new_bbbbbb += einsum(x2081, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -9625,7 +9624,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2081, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x2081, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2081 - x2082 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2082 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2082 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1265, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 del x1265 t3new_bbbbbb += einsum(x2082, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -9633,84 +9632,84 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2082, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2082, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2082 - x2083 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2083 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2083 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1260, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x1260 - x2084 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2084 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2084 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2083, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2083 t3new_bbbbbb += einsum(x2084, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x2084, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x2084 - x2085 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2085 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2085 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1258, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x1258 - x2086 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2086 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2086 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2085, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2085 t3new_bbbbbb += einsum(x2086, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2086, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x2086 - x2087 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2087 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2087 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1264, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 del x1264 - x2088 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2088 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2088 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2087, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2087 t3new_bbbbbb += einsum(x2088, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2088, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x2088 - x2089 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2089 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2089 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1262, (4, 5, 2, 6), (4, 3, 0, 1, 5, 6)) * -1.0 del x1262 - x2090 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2090 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2090 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2089, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2089 t3new_bbbbbb += einsum(x2090, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x2090, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x2090 - x2091 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2091 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2091 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1268, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) del x1268 t3new_bbbbbb += einsum(x2091, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2091, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2091 - x2092 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2092 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2092 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1269, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) del x1269 t3new_bbbbbb += einsum(x2092, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2092, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2092 - x2093 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2093 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2093 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1271, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) del x1271 t3new_bbbbbb += einsum(x2093, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x2093, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x2093 - x2094 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2094 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2094 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1272, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) del x1272 t3new_bbbbbb += einsum(x2094, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2094, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x2094 - x2095 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2095 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2095 += einsum(x21, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x21 t3new_bbbbbb += einsum(x2095, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x2095, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x2095 - x2096 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2096 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2096 += einsum(x0, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - x2097 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2097 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2097 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2096, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2096 t3new_bbbbbb += einsum(x2097, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_bbbbbb += einsum(x2097, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x2097 - x2098 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2098 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2098 += einsum(x13, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 3, 7), (5, 7, 1, 4, 2, 6)) del x13 - x2099 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2099 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2099 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2098, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2098 t3new_bbbbbb += einsum(x2099, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -9718,29 +9717,29 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2099, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2099, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2099 - x2100 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2100 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2100 += einsum(x1460, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) del x1460 t3new_bbbbbb += einsum(x2100, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * -2.0 t3new_bbbbbb += einsum(x2100, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * 2.0 del x2100 - x2101 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2101 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2101 += einsum(x982, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) del x982 - x2102 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2102 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2102 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2101, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2101 t3new_bbbbbb += einsum(x2102, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 t3new_bbbbbb += einsum(x2102, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 del x2102 - x2103 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) - x2103 += einsum(x276, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (3, 2, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) + x2103 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) + x2103 += einsum(x276, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 t3new_bbbbbb += einsum(x2103, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 t3new_bbbbbb += einsum(x2103, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 del x2103 - x2104 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2104 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2104 += einsum(x16, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) - x2105 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2105 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2105 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2104, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2104 t3new_bbbbbb += einsum(x2105, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 @@ -9748,10 +9747,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2105, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 t3new_bbbbbb += einsum(x2105, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x2105 - x2106 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2106 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2106 += einsum(x16, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) del x16 - x2107 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2107 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2107 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2106, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2106 t3new_bbbbbb += einsum(x2107, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 @@ -9759,103 +9758,103 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2107, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 t3new_bbbbbb += einsum(x2107, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x2107 - x2108 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2108 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2108 += einsum(x22, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x22 t3new_bbbbbb += einsum(x2108, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x2108, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x2108 - x2109 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2109 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2109 += einsum(x23, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x23 t3new_bbbbbb += einsum(x2109, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x2109, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x2109 - x2110 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2110 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2110 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2021, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x2021 t3new_bbbbbb += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2110, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 6.0 del x2110 - x2111 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2111 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2111 += einsum(x1, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - x2112 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2112 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2112 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2111, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2111 t3new_bbbbbb += einsum(x2112, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_bbbbbb += einsum(x2112, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x2112 - x2113 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2113 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2113 += einsum(x20, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - x2114 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2114 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2114 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2113, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2113 t3new_bbbbbb += einsum(x2114, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_bbbbbb += einsum(x2114, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x2114 - x2115 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2115 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2115 += einsum(x1306, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x1306 t3new_bbbbbb += einsum(x2115, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x2115, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x2115 - x2116 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2116 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2116 += einsum(x1308, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x1308 t3new_bbbbbb += einsum(x2116, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x2116, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x2116 - x2117 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2117 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2117 += einsum(x1309, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) del x1309 - x2118 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2118 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2118 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2117, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2117 t3new_bbbbbb += einsum(x2118, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_bbbbbb += einsum(x2118, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x2118 - x2119 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2119 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2119 += einsum(x1316, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x1316 t3new_bbbbbb += einsum(x2119, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 t3new_bbbbbb += einsum(x2119, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 del x2119 - x2120 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2120 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2120 += einsum(x1318, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x1318 t3new_bbbbbb += einsum(x2120, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 t3new_bbbbbb += einsum(x2120, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 3.0 del x2120 - x2121 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2121 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2121 += einsum(x1317, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x1317 - x2122 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2122 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2122 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2121, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2121 t3new_bbbbbb += einsum(x2122, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_bbbbbb += einsum(x2122, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x2122 - x2123 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2123 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2123 += einsum(x1315, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x1315 - x2124 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2124 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2124 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2123, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2123 t3new_bbbbbb += einsum(x2124, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_bbbbbb += einsum(x2124, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x2124 - x2125 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2125 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2125 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1368, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1368 t3new_bbbbbb += einsum(x2125, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x2125, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x2125 - x2126 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2126 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2126 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x272, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x272 t3new_bbbbbb += einsum(x2126, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x2126, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x2126 - x2127 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2127 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2127 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1369, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x1369 t3new_bbbbbb += einsum(x2127, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 @@ -9863,12 +9862,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2127, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x2127, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x2127 - x2128 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2128 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2128 += einsum(x0, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,sVb)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 del x0 - t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2128, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -4.0 + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2128, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * 4.0 del x2128 - x2129 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2129 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2129 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x274, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x274 t3new_bbbbbb += einsum(x2129, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -9876,18 +9875,18 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2129, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2129, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2129 - x2130 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2130 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2130 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1390, (2, 3, 4, 1), (2, 0, 3, 4)) - x2131 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2131 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2131 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2130, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x2130 t3new_bbbbbb += einsum(x2131, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2131, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2131 - x2132 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2132 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2132 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x980, (4, 5, 0, 6, 7, 2), (4, 5, 6, 1, 7, 3)) del x980 - x2133 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2133 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2133 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2132, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2132 t3new_bbbbbb += einsum(x2133, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -9895,10 +9894,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2133, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2133, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2133 - x2134 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2134 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2134 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1390, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 del x1390 - x2135 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2135 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2135 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2134, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2134 t3new_bbbbbb += einsum(x2135, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -9906,7 +9905,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2135, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2135, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2135 - x2136 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2136 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2136 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1381, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x1381 t3new_bbbbbb += einsum(x2136, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 @@ -9914,33 +9913,33 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2136, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2136, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 del x2136 - x2137 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2137 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2137 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1379, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1379 t3new_bbbbbb += einsum(x2137, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2137, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2137 - x2138 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2138 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2138 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 5), (1, 4, 3, 5)) * -1.0 - x2139 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2139 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2139 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2138, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 del x2138 - x2140 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2140 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2140 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2139, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2139 t3new_bbbbbb += einsum(x2140, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2140, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x2140 - x2141 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2141 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2141 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1378, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x1378 - x2142 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2142 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2142 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2141, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2141 t3new_bbbbbb += einsum(x2142, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2142, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x2142 - x2143 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2143 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2143 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1399, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x1399 t3new_bbbbbb += einsum(x2143, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -9948,13 +9947,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2143, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x2143, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2143 - x2144 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2144 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2144 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1397, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x1397 t3new_bbbbbb += einsum(x2144, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2144, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x2144 - x2145 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2145 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2145 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1405, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x1405 t3new_bbbbbb += einsum(x2145, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -9962,13 +9961,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2145, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x2145, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2145 - x2146 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2146 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2146 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1402, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1402 t3new_bbbbbb += einsum(x2146, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2146, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x2146 - x2147 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2147 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2147 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x280, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x280 t3new_bbbbbb += einsum(x2147, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 @@ -9976,13 +9975,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2147, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x2147, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 del x2147 - x2148 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2148 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2148 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1408, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1408 t3new_bbbbbb += einsum(x2148, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x2148, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 del x2148 - x2149 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2149 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2149 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x278, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x278 t3new_bbbbbb += einsum(x2149, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 @@ -9990,22 +9989,22 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2149, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x2149, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 del x2149 - x2150 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2150 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2150 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1410, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1410 t3new_bbbbbb += einsum(x2150, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x2150, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 del x2150 - x2151 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2151 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2151 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1413, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) - x2152 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2152 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2152 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x2151, (4, 5, 6, 7, 0, 1), (4, 5, 6, 7, 2, 3)) t3new_bbbbbb += einsum(x2152, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2152, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2152, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2152, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2152 - x2153 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2153 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2153 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1411, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x1411 t3new_bbbbbb += einsum(x2153, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 @@ -10013,15 +10012,15 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2153, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x2153, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 del x2153 - x2154 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2154 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2154 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1429, (2, 3, 4, 1), (2, 0, 3, 4)) - x2155 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2155 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2155 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2154, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x2154 t3new_bbbbbb += einsum(x2155, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x2155, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 del x2155 - x2156 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2156 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2156 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1412, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x1412 t3new_bbbbbb += einsum(x2156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 @@ -10029,15 +10028,15 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x2156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 del x2156 - x2157 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2157 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2157 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1427, (2, 3, 4, 1), (2, 0, 3, 4)) - x2158 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2158 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2158 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2157, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 del x2157 t3new_bbbbbb += einsum(x2158, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x2158, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 del x2158 - x2159 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2159 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2159 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1425, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) del x1425 t3new_bbbbbb += einsum(x2159, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 @@ -10049,9 +10048,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2159, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2159, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 del x2159 - x2160 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2160 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2160 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1413, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) - x2161 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2161 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2161 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2160, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2160 t3new_bbbbbb += einsum(x2161, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 @@ -10059,10 +10058,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2161, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x2161, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x2161 - x2162 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2162 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2162 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1413, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) del x1413 - x2163 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2163 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2163 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2162, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2162 t3new_bbbbbb += einsum(x2163, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 @@ -10070,19 +10069,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2163, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x2163, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x2163 - x2164 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2164 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2164 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1407, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x1407 - x2165 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2165 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2165 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2164, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2164 t3new_bbbbbb += einsum(x2165, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 t3new_bbbbbb += einsum(x2165, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x2165 - x2166 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2166 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2166 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x265, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) * -1.0 del x265 - x2167 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2167 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2167 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2166, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2166 t3new_bbbbbb += einsum(x2167, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -10090,16 +10089,16 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2167, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2167, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x2167 - x2168 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2168 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2168 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1409, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x1409 - x2169 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2169 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2169 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2168, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2168 t3new_bbbbbb += einsum(x2169, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 t3new_bbbbbb += einsum(x2169, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x2169 - x2170 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2170 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2170 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1419, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) del x1419 t3new_bbbbbb += einsum(x2170, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 @@ -10111,10 +10110,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2170, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2170, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x2170 - x2171 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2171 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2171 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1429, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 del x1429 - x2172 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2172 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2172 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2171, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2171 t3new_bbbbbb += einsum(x2172, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 @@ -10122,10 +10121,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2172, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x2172, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x2172 - x2173 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2173 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2173 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1427, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 del x1427 - x2174 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2174 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2174 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2173, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2173 t3new_bbbbbb += einsum(x2174, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 @@ -10133,53 +10132,53 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2174, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x2174, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x2174 - x2175 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2175 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2175 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 0, 3), (1, 4, 2, 5)) * -1.0 - x2176 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2176 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2176 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2175, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 del x2175 - x2177 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2177 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2177 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2176, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2176 t3new_bbbbbb += einsum(x2177, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 t3new_bbbbbb += einsum(x2177, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x2177 - x2178 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2178 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2178 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 0, 5), (1, 4, 2, 5)) * -1.0 - x2179 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2179 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2179 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2178, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 del x2178 - x2180 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2180 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2180 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2179, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2179 t3new_bbbbbb += einsum(x2180, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 t3new_bbbbbb += einsum(x2180, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x2180 - x2181 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2181 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2181 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1421, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1421 t3new_bbbbbb += einsum(x2181, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x2181, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x2181 - x2182 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2182 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2182 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1422, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1422 t3new_bbbbbb += einsum(x2182, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x2182, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x2182 - x2183 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2183 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2183 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x286, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x286 t3new_bbbbbb += einsum(x2183, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x2183, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x2183 - x2184 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2184 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2184 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x288, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) del x288 t3new_bbbbbb += einsum(x2184, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x2184, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x2184 - x2185 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2185 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2185 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1423, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x1423 t3new_bbbbbb += einsum(x2185, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 @@ -10187,7 +10186,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2185, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x2185, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x2185 - x2186 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2186 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2186 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1424, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x1424 t3new_bbbbbb += einsum(x2186, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 @@ -10195,17 +10194,17 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2186, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x2186, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x2186 - x2187 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2187 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2187 += einsum(x1, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,sVb)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 del x1 t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2187, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -4.0 del x2187 - x2188 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2188 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2188 += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,sVb)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 del x20 t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2188, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * 4.0 del x2188 - x2189 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2189 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2189 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1440, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x1440 t3new_bbbbbb += einsum(x2189, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 @@ -10213,7 +10212,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2189, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x2189, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x2189 - x2190 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2190 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2190 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1434, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 del x1434 t3new_bbbbbb += einsum(x2190, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 @@ -10221,7 +10220,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2190, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2190, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x2190 - x2191 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2191 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2191 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1439, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 del x1439 t3new_bbbbbb += einsum(x2191, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 @@ -10229,28 +10228,28 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2191, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x2191, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x2191 - x2192 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2192 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2192 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1437, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x1437 t3new_bbbbbb += einsum(x2192, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x2192, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x2192 - x2193 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2193 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2193 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x961, (4, 5, 2, 3), (4, 0, 1, 5)) del x961 - x2194 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2194 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2194 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2193, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) del x2193 t3new_bbbbbb += einsum(x2194, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2194, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x2194 - x2195 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2195 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2195 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1438, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x1438 t3new_bbbbbb += einsum(x2195, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x2195, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x2195 - x2196 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2196 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2196 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1448, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x1448 t3new_bbbbbb += einsum(x2196, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 @@ -10258,13 +10257,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2196, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x2196, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x2196 - x2197 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2197 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2197 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1442, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1442 t3new_bbbbbb += einsum(x2197, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x2197, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x2197 - x2198 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2198 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2198 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1447, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 del x1447 t3new_bbbbbb += einsum(x2198, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 @@ -10272,13 +10271,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2198, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 t3new_bbbbbb += einsum(x2198, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 del x2198 - x2199 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2199 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2199 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1444, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1444 t3new_bbbbbb += einsum(x2199, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x2199, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 del x2199 - x2200 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2200 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2200 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1445, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 del x1445 t3new_bbbbbb += einsum(x2200, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 @@ -10286,18 +10285,18 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2200, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2200, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x2200 - x2201 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=types[float]) - x2201 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x975, (4, 1, 0, 5), (4, 2, 3, 5)) * -1.0 - x2202 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2201 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) + x2201 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x975, (4, 0, 1, 5), (4, 2, 3, 5)) + x2202 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2202 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2201, (4, 5, 6, 2), (4, 3, 0, 1, 6, 5)) * -1.0 del x2201 t3new_bbbbbb += einsum(x2202, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2202, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x2202 - x2203 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2203 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2203 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x276, (4, 5, 0, 6), (1, 3, 5, 4, 6, 2)) del x276 - x2204 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2204 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2204 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2203, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2203 t3new_bbbbbb += einsum(x2204, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -10305,10 +10304,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2204, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2204, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2204 - x2205 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2205 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2205 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2151, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x2151 - x2206 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2206 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2206 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2205, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2205 t3new_bbbbbb += einsum(x2206, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -10316,18 +10315,18 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2206, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x2206, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2206 - x2207 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2207 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2207 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1469, (2, 3, 4, 1), (2, 3, 0, 4)) - x2208 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2208 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2208 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2207, (4, 5, 6, 0), (1, 4, 6, 5, 2, 3)) * -1.0 del x2207 t3new_bbbbbb += einsum(x2208, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2208, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2208 - x2209 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2209 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2209 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1469, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 del x1469 - x2210 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2210 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2210 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2209, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2209 t3new_bbbbbb += einsum(x2210, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -10335,10 +10334,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2210, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2210, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2210 - x2211 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2211 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2211 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1471, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 del x1471 - x2212 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2212 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2212 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2211, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2211 t3new_bbbbbb += einsum(x2212, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -10346,7 +10345,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2212, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x2212, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2212 - x2213 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2213 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2213 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1474, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x1474 t3new_bbbbbb += einsum(x2213, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -10354,7 +10353,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2213, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2213, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2213 - x2214 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2214 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2214 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1475, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 del x1475 t3new_bbbbbb += einsum(x2214, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 @@ -10362,43 +10361,43 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2214, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x2214, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2214 - x2215 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=types[float]) + x2215 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2215 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 5, 6, 2), (4, 3, 0, 1, 6, 5)) * -1.0 del x975 - x2216 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2216 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2216 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2215, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) del x2215 - x2217 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2217 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2217 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2216, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2216 t3new_bbbbbb += einsum(x2217, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x2217, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x2217 - x2218 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2218 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2218 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1477, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1477 t3new_bbbbbb += einsum(x2218, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2218, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x2218 - x2219 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2219 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2219 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1479, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) del x1479 t3new_bbbbbb += einsum(x2219, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x2219, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2219 - x2220 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2220 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2220 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1476, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x1476 - x2221 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2221 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2221 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2220, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2220 t3new_bbbbbb += einsum(x2221, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_bbbbbb += einsum(x2221, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x2221 - x2222 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=types[float]) + x2222 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x2222 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1478, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) del x1478 - x2223 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=types[float]) + x2223 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2223 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2222, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2222 t3new_bbbbbb += einsum(x2223, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 From e8eb696cb74e9a3b0710962eeb2af0534d179435 Mon Sep 17 00:00:00 2001 From: Ollie Backhouse Date: Sat, 28 Oct 2023 11:23:14 +0100 Subject: [PATCH 09/10] Fix repeated initialisations in UCCSDt --- ebcc/codegen/UCCSDt.py | 1697 ++++++++++++++++++++-------------------- tests/test_GCCSDt.py | 2 +- tests/test_RCCSDt.py | 4 +- 3 files changed, 849 insertions(+), 854 deletions(-) diff --git a/ebcc/codegen/UCCSDt.py b/ebcc/codegen/UCCSDt.py index 903b359b..eddf6069 100644 --- a/ebcc/codegen/UCCSDt.py +++ b/ebcc/codegen/UCCSDt.py @@ -2,31 +2,32 @@ from ebcc import numpy as np from ebcc.util import pack_2e, einsum, Namespace +from ebcc.precision import types def energy(f=None, v=None, nocc=None, nvir=None, t1=None, t2=None, t3=None, **kwargs): # energy e_cc = 0 + e_cc += einsum(t2.aaaa, (0, 1, 2, 3), v.aaaa.ovov, (0, 2, 1, 3), ()) e_cc += einsum(t2.abab, (0, 1, 2, 3), v.aabb.ovov, (0, 2, 1, 3), ()) e_cc += einsum(t2.bbbb, (0, 1, 2, 3), v.bbbb.ovov, (0, 2, 1, 3), ()) - e_cc += einsum(t2.aaaa, (0, 1, 2, 3), v.aaaa.ovov, (0, 2, 1, 3), ()) x0 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x0 += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) - x0 += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) * -1.0 + x0 += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) * -1.0 + x0 += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) x1 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) x1 += einsum(f.bb.ov, (0, 1), (0, 1)) x1 += einsum(t1.aa, (0, 1), v.aabb.ovov, (0, 1, 2, 3), (2, 3)) - x1 += einsum(t1.bb, (0, 1), x0, (0, 2, 1, 3), (2, 3)) * -0.5 + x1 += einsum(t1.bb, (0, 1), x0, (0, 2, 3, 1), (2, 3)) * -0.5 del x0 e_cc += einsum(t1.bb, (0, 1), x1, (0, 1), ()) del x1 x2 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x2 += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) - x2 += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) * -1.0 + x2 += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) * -1.0 + x2 += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) x3 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) - x3 += einsum(f.aa.ov, (0, 1), (0, 1)) - x3 += einsum(t1.aa, (0, 1), x2, (0, 2, 1, 3), (2, 3)) * -0.5 + x3 += einsum(f.aa.ov, (0, 1), (0, 1)) * 2.0 + x3 += einsum(t1.aa, (0, 1), x2, (0, 2, 3, 1), (2, 3)) * -1.0 del x2 - e_cc += einsum(t1.aa, (0, 1), x3, (0, 1), ()) + e_cc += einsum(t1.aa, (0, 1), x3, (0, 1), ()) * 0.5 del x3 return e_cc @@ -63,9 +64,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oovv, (2, 0, 3, 1), (2, 3)) * -1.0 t1new_bb[np.ix_(sob,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 1), (4, 3)) * -1.0 t1new_bb[np.ix_(sob,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 2, 4, 3), (1, 4)) - t1new_bb[np.ix_(sob,svb)] += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 2, 1, 5, 3), (4, 5)) - t1new_bb[np.ix_(sob,svb)] += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 2, 5, 1, 3), (4, 5)) * 2.0 - t1new_bb[np.ix_(sob,svb)] += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 0, 2, 5, 1, 3), (4, 5)) * 3.0 + t1new_bb[np.ix_(sob,svb)] += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 4, 2, 1, 5, 3), (4, 5)) + t1new_bb[np.ix_(sob,svb)] += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 2, 5, 1, 3), (4, 5)) * 2.0 + t1new_bb[np.ix_(sob,svb)] += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 0, 2, 5, 1, 3), (4, 5)) * 3.0 t1new_aa = np.zeros((nocc[0], nvir[0]), dtype=np.float64) t1new_aa[np.ix_(soa,sva)] += einsum(f.aa.ov, (0, 1), (0, 1)) t1new_aa[np.ix_(soa,sva)] += einsum(f.aa.oo, (0, 1), t1.aa[np.ix_(soa,sva)], (1, 2), (0, 2)) * -1.0 @@ -75,14 +76,14 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oovv, (2, 0, 3, 1), (2, 3)) * -1.0 t1new_aa[np.ix_(soa,sva)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 1, 3), (4, 2)) * -1.0 t1new_aa[np.ix_(soa,sva)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 1, 3), (0, 4)) - t1new_aa[np.ix_(soa,sva)] += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 0, 5, 3, 1), (4, 5)) * 2.0 - t1new_aa[np.ix_(soa,sva)] += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 4, 2, 1, 5, 3), (4, 5)) - t1new_aa[np.ix_(soa,sva)] += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 2, 5, 1, 3), (4, 5)) * 3.0 + t1new_aa[np.ix_(soa,sva)] += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 0, 5, 3, 1), (4, 5)) * 2.0 + t1new_aa[np.ix_(soa,sva)] += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 4, 2, 1, 5, 3), (4, 5)) + t1new_aa[np.ix_(soa,sva)] += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 0, 2, 5, 1, 3), (4, 5)) * 3.0 t2new_aaaa = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) * -1.0 - t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(f.bb.ov, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(f.aa.OV, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 + t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(f.bb.ov, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(f.aa.OV, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 t2new_abab = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.aa.oo, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 @@ -91,8 +92,8 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.bb.vv, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ooov, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovoo, (2, 3, 4, 0), (2, 4, 3, 1)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.aa.OV, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.bb.OV, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * 2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.aa.OV, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.bb.OV, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * 2.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oooo, (4, 0, 5, 1), (4, 5, 2, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oovv, (4, 1, 5, 3), (0, 4, 2, 5)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oovv, (4, 0, 5, 3), (4, 1, 2, 5)) * -1.0 @@ -100,35 +101,34 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvoo, (4, 2, 5, 1), (0, 5, 4, 3)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvvv, (4, 2, 5, 3), (0, 1, 4, 5)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aabb.ovov, (1, 3, 4, 5), (0, 4, 2, 5)) * 2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aaaa.ooOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 2, 5, 6, 3), (0, 4, 5, 6)) * -2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.OVoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 0, 5, 6, 1), (4, 2, 5, 6)) * -2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aaaa.vOvV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 0, 6, 3), (4, 5, 2, 6)) * -2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.OVvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 3, 1), (4, 5, 6, 2)) * 2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.ooOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 2, 5, 6, 3), (0, 4, 6, 5)) * -2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.bbbb.ooOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 2, 5, 6, 3), (4, 0, 6, 5)) * -2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.bbbb.vOvV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 0, 6, 3), (5, 4, 6, 2)) * -2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.vvOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 2, 6, 1, 3), (5, 4, 0, 6)) * 2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aaaa.ooOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 2, 5, 6, 3), (0, 4, 5, 6)) * -2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.OVoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 0, 5, 6, 1), (4, 2, 5, 6)) * -2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aaaa.vOvV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 0, 6, 3), (4, 5, 2, 6)) * -2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.OVvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 3, 1), (4, 5, 6, 2)) * 2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.ooOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 2, 5, 6, 3), (0, 4, 6, 5)) * -2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.bbbb.ooOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 2, 5, 6, 3), (4, 0, 6, 5)) * -2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.bbbb.vOvV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 0, 6, 3), (5, 4, 6, 2)) * -2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.vvOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 2, 6, 1, 3), (5, 4, 0, 6)) * 2.0 t2new_bbbb = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) * -1.0 - t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(f.aa.ov, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(f.bb.OV, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 + t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(f.aa.ov, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(f.bb.OV, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 t3new_aaaaaa = np.zeros((nocc[0], nocc[0], naocc[0], nvir[0], nvir[0], navir[0]), dtype=np.float64) - t3new_aaaaaa += einsum(f.aa.OO, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - t3new_aaaaaa += einsum(f.aa.VV, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 - t3new_aaaaaa = np.zeros((nocc[0], naocc[0], naocc[0], nvir[0], navir[0], navir[0]), dtype=np.float64) - t3new_aaaaaa += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 - t3new_aaaaaa += einsum(v.aaaa.oooo, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (3, 1, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * -6.0 - t3new_aaaaaa += einsum(v.aaaa.OVOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 6.0 - t3new_aaaaaa += einsum(v.aaaa.OOVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 - t3new_aaaaaa += einsum(v.aaaa.vvvv, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) * 6.0 + t3new_aaaaaa += einsum(f.aa.OO, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_aaaaaa += einsum(f.aa.VV, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + t3new_aaaaaa += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 + t3new_aaaaaa += einsum(v.aaaa.oooo, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (3, 1, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * -6.0 + t3new_aaaaaa += einsum(v.aaaa.OVOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 6.0 + t3new_aaaaaa += einsum(v.aaaa.OOVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 + t3new_aaaaaa += einsum(v.aaaa.vvvv, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 6, 3, 1, 7), (4, 5, 6, 0, 2, 7)) * -6.0 t3new_babbab = np.zeros((nocc[1], nocc[0], naocc[1], nvir[1], nvir[0], navir[1]), dtype=np.float64) - t3new_babbab += einsum(f.bb.oo, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new_babbab += einsum(f.aa.oo, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - t3new_babbab += einsum(f.bb.OO, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - t3new_babbab += einsum(f.bb.vv, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 - t3new_babbab += einsum(f.aa.vv, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 - t3new_babbab += einsum(f.bb.VV, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + t3new_babbab += einsum(f.bb.oo, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(f.aa.oo, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(f.bb.OO, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(f.bb.vv, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 + t3new_babbab += einsum(f.aa.vv, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 + t3new_babbab += einsum(f.bb.VV, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.bbbb.oovO, (4, 1, 5, 6), (4, 0, 6, 5, 2, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.oovO, (4, 0, 5, 6), (1, 4, 6, 5, 2, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ooOV, (4, 1, 5, 6), (4, 0, 5, 3, 2, 6)) * -1.0 @@ -147,35 +147,35 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.aabb.ovoO, (4, 5, 1, 6), (0, 4, 6, 2, 5, 3)) * -2.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 5, 6, 0), (6, 4, 1, 2, 5, 3)) * -2.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.ovvV, (4, 5, 3, 6), (0, 4, 1, 2, 5, 6)) * 2.0 - t3new_babbab += einsum(v.aabb.OVOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (5, 4, 2, 7, 6, 3)) * 2.0 - t3new_babbab += einsum(v.aabb.OVvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (5, 4, 3, 2, 6, 7)) * -2.0 - t3new_babbab += einsum(v.aabb.OVoV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 7, 6, 3)) * -2.0 - t3new_babbab += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 - t3new_babbab += einsum(v.bbbb.ooOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 3, 5, 6, 7), (0, 4, 2, 5, 6, 7)) * 2.0 - t3new_babbab += einsum(v.aabb.ooOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 3, 5, 6, 7), (4, 0, 2, 5, 6, 7)) * 2.0 - t3new_babbab += einsum(v.aabb.oooo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 - t3new_babbab += einsum(v.bbbb.oovv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 - t3new_babbab += einsum(v.aabb.oovv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -2.0 - t3new_babbab += einsum(v.aaaa.oovv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 - t3new_babbab += einsum(v.bbbb.ooVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 2)) * -2.0 - t3new_babbab += einsum(v.aabb.ooVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 7, 3), (4, 0, 5, 6, 7, 2)) * -2.0 - t3new_babbab += einsum(v.bbbb.oVoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 1)) * 2.0 - t3new_babbab += einsum(v.bbbb.vOvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 2, 6, 7), (4, 5, 1, 0, 6, 7)) * 2.0 - t3new_babbab += einsum(v.bbbb.OVOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 2.0 - t3new_babbab += einsum(v.bbbb.vvOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 1, 6, 7), (4, 5, 2, 0, 6, 7)) * -2.0 - t3new_babbab += einsum(v.bbbb.OOVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 - t3new_babbab += einsum(v.aabb.vvOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 6, 1, 7), (4, 5, 2, 6, 0, 7)) * -2.0 - t3new_babbab += einsum(v.aabb.vvoo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 1, 7), (2, 4, 5, 6, 0, 7)) * -2.0 - t3new_babbab += einsum(v.aabb.vvvv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 1, 7), (4, 5, 6, 2, 0, 7)) * 2.0 - t3new_babbab += einsum(v.bbbb.vvVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) * 2.0 - t3new_babbab += einsum(v.aabb.vvVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 7, 1, 3), (4, 5, 6, 7, 0, 2)) * 2.0 + t3new_babbab += einsum(v.aabb.OVOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 1), (5, 4, 2, 7, 6, 3)) * 2.0 + t3new_babbab += einsum(v.aabb.OVvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 1), (5, 4, 3, 2, 6, 7)) * -2.0 + t3new_babbab += einsum(v.aabb.OVoV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 7, 6, 3)) * -2.0 + t3new_babbab += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 + t3new_babbab += einsum(v.bbbb.ooOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 3, 5, 6, 7), (0, 4, 2, 5, 6, 7)) * 2.0 + t3new_babbab += einsum(v.aabb.ooOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 3, 5, 6, 7), (4, 0, 2, 5, 6, 7)) * 2.0 + t3new_babbab += einsum(v.aabb.oooo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 + t3new_babbab += einsum(v.bbbb.oovv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 + t3new_babbab += einsum(v.aabb.oovv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -2.0 + t3new_babbab += einsum(v.aaaa.oovv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 + t3new_babbab += einsum(v.bbbb.ooVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 2)) * -2.0 + t3new_babbab += einsum(v.aabb.ooVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 7, 3), (4, 0, 5, 6, 7, 2)) * -2.0 + t3new_babbab += einsum(v.bbbb.oVoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 1)) * 2.0 + t3new_babbab += einsum(v.bbbb.vOvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 3, 2, 6, 7), (4, 5, 1, 0, 6, 7)) * 2.0 + t3new_babbab += einsum(v.bbbb.OVOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 2.0 + t3new_babbab += einsum(v.bbbb.vvOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 3, 1, 6, 7), (4, 5, 2, 0, 6, 7)) * -2.0 + t3new_babbab += einsum(v.bbbb.OOVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 + t3new_babbab += einsum(v.aabb.vvOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 3, 6, 1, 7), (4, 5, 2, 6, 0, 7)) * -2.0 + t3new_babbab += einsum(v.aabb.vvoo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 1, 7), (2, 4, 5, 6, 0, 7)) * -2.0 + t3new_babbab += einsum(v.aabb.vvvv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 3, 1, 7), (4, 5, 6, 2, 0, 7)) * 2.0 + t3new_babbab += einsum(v.bbbb.vvVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) * 2.0 + t3new_babbab += einsum(v.aabb.vvVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 7, 1, 3), (4, 5, 6, 7, 0, 2)) * 2.0 t3new_abaaba = np.zeros((nocc[0], nocc[1], naocc[0], nvir[0], nvir[1], navir[0]), dtype=np.float64) - t3new_abaaba += einsum(f.aa.oo, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new_abaaba += einsum(f.bb.oo, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - t3new_abaaba += einsum(f.aa.OO, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - t3new_abaaba += einsum(f.aa.vv, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 - t3new_abaaba += einsum(f.bb.vv, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 - t3new_abaaba += einsum(f.aa.VV, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + t3new_abaaba += einsum(f.aa.oo, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(f.bb.oo, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(f.aa.OO, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(f.aa.vv, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 + t3new_abaaba += einsum(f.bb.vv, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 + t3new_abaaba += einsum(f.aa.VV, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ooOV, (4, 0, 5, 6), (4, 1, 5, 2, 3, 6)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oOoV, (0, 4, 5, 6), (5, 1, 4, 2, 3, 6)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.vvOV, (4, 2, 5, 6), (0, 1, 5, 4, 3, 6)) @@ -194,49 +194,48 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aabb.oOov, (1, 4, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.vVov, (3, 4, 5, 6), (0, 5, 1, 2, 6, 4)) * 2.0 - t3new_abaaba += einsum(v.aaaa.ooOO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 3, 5, 6, 7), (0, 4, 2, 5, 6, 7)) * 2.0 - t3new_abaaba += einsum(v.aabb.oooo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 - t3new_abaaba += einsum(v.aaaa.oovv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 - t3new_abaaba += einsum(v.aabb.oovv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -2.0 - t3new_abaaba += einsum(v.bbbb.oovv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 - t3new_abaaba += einsum(v.aaaa.ooVV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 2)) * -2.0 - t3new_abaaba += einsum(v.aaaa.oVoV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 1)) * 2.0 - t3new_abaaba += einsum(v.aaaa.vOvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 3, 2, 6, 7), (4, 5, 1, 0, 6, 7)) * 2.0 - t3new_abaaba += einsum(v.aaaa.OVOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 2.0 - t3new_abaaba += einsum(v.aabb.OOoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 - t3new_abaaba += einsum(v.aaaa.vvOO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 3, 1, 6, 7), (4, 5, 2, 0, 6, 7)) * -2.0 - t3new_abaaba += einsum(v.aabb.OOvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 - t3new_abaaba += einsum(v.aaaa.OOVV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 - t3new_abaaba += einsum(v.aabb.vvoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 1, 6, 7), (4, 2, 5, 0, 6, 7)) * -2.0 - t3new_abaaba += einsum(v.aabb.vvvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) * 2.0 - t3new_abaaba += einsum(v.aaaa.vvVV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) * 2.0 - t3new_abaaba += einsum(v.aabb.VVoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 - t3new_abaaba += einsum(v.aabb.VVvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * 2.0 - t3new_abaaba += einsum(v.aabb.OVOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 2, 6, 7, 3), (5, 4, 0, 7, 6, 1)) * 2.0 - t3new_abaaba += einsum(v.aabb.vOOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 2, 6, 7, 3), (5, 4, 1, 0, 6, 7)) * -2.0 - t3new_abaaba += einsum(v.aabb.oVOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 7, 6, 1)) * -2.0 - t3new_abaaba += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 1, 6, 7)) * 2.0 + t3new_abaaba += einsum(v.aaaa.ooOO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 3, 5, 6, 7), (0, 4, 2, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(v.aabb.oooo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(v.aaaa.oovv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 + t3new_abaaba += einsum(v.aabb.oovv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -2.0 + t3new_abaaba += einsum(v.bbbb.oovv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 + t3new_abaaba += einsum(v.aaaa.ooVV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 2)) * -2.0 + t3new_abaaba += einsum(v.aaaa.oVoV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 1)) * 2.0 + t3new_abaaba += einsum(v.aaaa.vOvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 3, 2, 6, 7), (4, 5, 1, 0, 6, 7)) * 2.0 + t3new_abaaba += einsum(v.aaaa.OVOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 2.0 + t3new_abaaba += einsum(v.aabb.OOoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(v.aaaa.vvOO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 3, 1, 6, 7), (4, 5, 2, 0, 6, 7)) * -2.0 + t3new_abaaba += einsum(v.aabb.OOvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 + t3new_abaaba += einsum(v.aaaa.OOVV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 + t3new_abaaba += einsum(v.aabb.vvoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 5, 1, 6, 7), (4, 2, 5, 0, 6, 7)) * -2.0 + t3new_abaaba += einsum(v.aabb.vvvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) * 2.0 + t3new_abaaba += einsum(v.aaaa.vvVV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) * 2.0 + t3new_abaaba += einsum(v.aabb.VVoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 + t3new_abaaba += einsum(v.aabb.VVvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * 2.0 + t3new_abaaba += einsum(v.aabb.OVOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 2, 6, 7, 3), (5, 4, 0, 7, 6, 1)) * 2.0 + t3new_abaaba += einsum(v.aabb.vOOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (4, 5, 2, 6, 7, 3), (5, 4, 1, 0, 6, 7)) * -2.0 + t3new_abaaba += einsum(v.aabb.oVOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 7, 6, 1)) * -2.0 + t3new_abaaba += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 1, 6, 7)) * 2.0 t3new_bbbbbb = np.zeros((nocc[1], nocc[1], naocc[1], nvir[1], nvir[1], navir[1]), dtype=np.float64) - t3new_bbbbbb += einsum(f.bb.OO, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - t3new_bbbbbb += einsum(f.bb.VV, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 - t3new_bbbbbb = np.zeros((nocc[1], naocc[1], naocc[1], nvir[1], navir[1], navir[1]), dtype=np.float64) - t3new_bbbbbb += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (4, 5, 2, 6, 7, 3)) * 2.0 - t3new_bbbbbb += einsum(v.bbbb.oooo, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (3, 1, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * -6.0 - t3new_bbbbbb += einsum(v.bbbb.OVOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 6.0 - t3new_bbbbbb += einsum(v.bbbb.OOVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 - t3new_bbbbbb += einsum(v.bbbb.vvvv, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 3, 1, 7), (4, 5, 6, 0, 2, 7)) * -6.0 + t3new_bbbbbb += einsum(f.bb.OO, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_bbbbbb += einsum(f.bb.VV, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + t3new_bbbbbb += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 1, 7), (4, 5, 2, 6, 7, 3)) * 2.0 + t3new_bbbbbb += einsum(v.bbbb.oooo, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (3, 1, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * -6.0 + t3new_bbbbbb += einsum(v.bbbb.OVOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 6.0 + t3new_bbbbbb += einsum(v.bbbb.OOVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 + t3new_bbbbbb += einsum(v.bbbb.vvvv, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) * 6.0 x0 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) x0 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovov, (0, 1, 2, 3), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(x0, (0, 1), (0, 1)) t1new_bb[np.ix_(sob,svb)] += einsum(x0, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 0, 3, 1), (2, 3)) * 2.0 t1new_aa[np.ix_(soa,sva)] += einsum(x0, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 1), (2, 3)) - t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(x0, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 + t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(x0, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 x1 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) x1 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovov, (2, 3, 0, 1), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(x1, (0, 1), (0, 1)) t1new_bb[np.ix_(sob,svb)] += einsum(x1, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 0, 3, 1), (2, 3)) * 2.0 t1new_aa[np.ix_(soa,sva)] += einsum(x1, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 1), (2, 3)) - t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(x1, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 + t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(x1, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 x2 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) x2 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 0, 1, 3), (4, 2)) t1new_bb[np.ix_(sob,svb)] += einsum(x2, (0, 1), (0, 1)) * -1.0 @@ -251,55 +250,55 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x4 += einsum(f.bb.ov, (0, 1), t1.bb[np.ix_(sob,svb)], (2, 1), (0, 2)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x4, (0, 2), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x4, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 4), (2, 1, 3, 4)) * -1.0 - t3new_babbab += einsum(x4, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 2, 3, 4, 5, 6), (1, 2, 3, 4, 5, 6)) * -2.0 - t3new_abaaba += einsum(x4, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 0, 3, 4, 5, 6), (2, 1, 3, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(x4, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 2, 3, 4, 5, 6), (1, 2, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x4, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 0, 3, 4, 5, 6), (2, 1, 3, 4, 5, 6)) * -2.0 x5 = np.zeros((nvir[1], nvir[1]), dtype=np.float64) x5 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovvv, (0, 1, 2, 3), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x5, (2, 1), (0, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x5, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) - t3new_babbab += einsum(x5, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 - t3new_abaaba += einsum(x5, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 + t3new_babbab += einsum(x5, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 + t3new_abaaba += einsum(x5, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 x6 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) x6 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoo, (0, 1, 2, 3), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x6, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x6, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 - t3new_babbab += einsum(x6, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new_abaaba += einsum(x6, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(x6, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x6, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 x7 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) x7 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ooov, (2, 0, 3, 1), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x7, (2, 0), (2, 1)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x7, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) - t3new_babbab += einsum(x7, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 - t3new_abaaba += einsum(x7, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 + t3new_babbab += einsum(x7, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 + t3new_abaaba += einsum(x7, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 x8 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) x8 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ooov, (2, 3, 0, 1), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x8, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x8, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 - t3new_babbab += einsum(x8, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new_abaaba += einsum(x8, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(x8, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x8, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 x9 = np.zeros((nvir[1], nvir[1]), dtype=np.float64) x9 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvv, (0, 2, 3, 1), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x9, (1, 2), (0, 2)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x9, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 0), (2, 3, 4, 1)) * -1.0 - t3new_babbab += einsum(x9, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 0, 5, 6), (2, 3, 4, 1, 5, 6)) * -2.0 - t3new_abaaba += einsum(x9, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -2.0 + t3new_babbab += einsum(x9, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 0, 5, 6), (2, 3, 4, 1, 5, 6)) * -2.0 + t3new_abaaba += einsum(x9, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -2.0 x10 = np.zeros((nvir[1], nvir[1]), dtype=np.float64) x10 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvv, (0, 1, 2, 3), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x10, (2, 1), (0, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x10, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) - t3new_babbab += einsum(x10, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 - t3new_abaaba += einsum(x10, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 + t3new_babbab += einsum(x10, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 + t3new_abaaba += einsum(x10, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 x11 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) x11 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovov, (2, 3, 0, 1), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(x11, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 1, 3), (2, 3)) t1new_aa[np.ix_(soa,sva)] += einsum(x11, (0, 1), (0, 1)) t1new_aa[np.ix_(soa,sva)] += einsum(x11, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 0, 3, 1), (2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(x11, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 + t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(x11, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 x12 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) x12 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovov, (2, 1, 0, 3), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(x12, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 1, 3), (2, 3)) * -1.0 t1new_aa[np.ix_(soa,sva)] += einsum(x12, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 0, 3, 1), (2, 3)) * -2.0 - t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(x12, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * -2.0 + t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(x12, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * -2.0 x13 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x13 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovov, (2, 3, 4, 1), (2, 0, 4, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x13, (0, 4, 1, 2), (4, 3)) * -1.0 @@ -310,23 +309,23 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x14 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 3), (1, 4)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x14, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x14, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 - t3new_babbab += einsum(x14, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new_abaaba += einsum(x14, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(x14, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x14, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 x15 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) x15 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovov, (2, 3, 0, 1), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(x15, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 1, 3), (2, 3)) t1new_aa[np.ix_(soa,sva)] += einsum(x15, (0, 1), (0, 1)) t1new_aa[np.ix_(soa,sva)] += einsum(x15, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 0, 3, 1), (2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(x15, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 + t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(x15, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 x16 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x16 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) x17 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) - x17 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x16, (4, 0, 1, 3), (4, 2)) * -1.0 + x17 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x16, (4, 1, 0, 3), (4, 2)) t1new_bb[np.ix_(sob,svb)] += einsum(x17, (0, 1), (0, 1)) * -1.0 t1new_bb[np.ix_(sob,svb)] += einsum(x17, (0, 1), (0, 1)) * -1.0 del x17 x18 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) - x18 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 2, 1, 3), (0, 4)) + x18 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 2), (0, 4)) * -1.0 x19 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) x19 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x18, (2, 0), (2, 1)) t1new_bb[np.ix_(sob,svb)] += einsum(x19, (0, 1), (0, 1)) * -1.0 @@ -336,25 +335,25 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x20 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovov, (2, 1, 0, 3), (2, 3)) t1new_bb[np.ix_(sob,svb)] += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 0, 3, 1), (2, 3)) * -2.0 t1new_aa[np.ix_(soa,sva)] += einsum(x20, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 1), (2, 3)) * -1.0 - t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(x20, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * -2.0 + t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(x20, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * -2.0 x21 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) x21 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x0, (2, 1), (0, 2)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x21, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x21, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 - t3new_babbab += einsum(x21, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new_abaaba += einsum(x21, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(x21, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x21, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 x22 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) x22 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x20, (2, 1), (0, 2)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x22, (2, 0), (2, 1)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x22, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) - t3new_babbab += einsum(x22, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 - t3new_abaaba += einsum(x22, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 + t3new_babbab += einsum(x22, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 + t3new_abaaba += einsum(x22, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 x23 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) x23 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1, (2, 1), (0, 2)) t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x23, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x23, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 - t3new_babbab += einsum(x23, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new_abaaba += einsum(x23, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(x23, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x23, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 x24 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) x24 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 1, 3), (4, 2)) t1new_aa[np.ix_(soa,sva)] += einsum(x24, (0, 1), (0, 1)) * -1.0 @@ -369,44 +368,44 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x26 += einsum(f.aa.ov, (0, 1), t1.aa[np.ix_(soa,sva)], (2, 1), (0, 2)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x26, (0, 2), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x26, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 3, 4), (1, 2, 3, 4)) * -1.0 - t3new_babbab += einsum(x26, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 3, 4, 5, 6), (2, 1, 3, 4, 5, 6)) * -2.0 - t3new_abaaba += einsum(x26, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 2, 3, 4, 5, 6), (1, 2, 3, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(x26, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 0, 3, 4, 5, 6), (2, 1, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x26, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 2, 3, 4, 5, 6), (1, 2, 3, 4, 5, 6)) * -2.0 x27 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) x27 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ooov, (2, 0, 3, 1), (2, 3)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x27, (2, 0), (2, 1)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x27, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) - t3new_babbab += einsum(x27, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 - t3new_abaaba += einsum(x27, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 + t3new_babbab += einsum(x27, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 + t3new_abaaba += einsum(x27, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 x28 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) x28 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ooov, (2, 3, 0, 1), (2, 3)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x28, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x28, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 - t3new_babbab += einsum(x28, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - t3new_abaaba += einsum(x28, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(x28, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x28, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 x29 = np.zeros((nvir[0], nvir[0]), dtype=np.float64) x29 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvv, (0, 2, 3, 1), (2, 3)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x29, (1, 2), (0, 2)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x29, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 0, 4), (2, 3, 1, 4)) * -1.0 - t3new_babbab += einsum(x29, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -2.0 - t3new_abaaba += einsum(x29, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 0, 5, 6), (2, 3, 4, 1, 5, 6)) * -2.0 + t3new_babbab += einsum(x29, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -2.0 + t3new_abaaba += einsum(x29, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 0, 5, 6), (2, 3, 4, 1, 5, 6)) * -2.0 x30 = np.zeros((nvir[0], nvir[0]), dtype=np.float64) x30 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvv, (0, 1, 2, 3), (2, 3)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x30, (2, 1), (0, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x30, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 3, 0, 4)) - t3new_babbab += einsum(x30, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 - t3new_abaaba += einsum(x30, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 + t3new_babbab += einsum(x30, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 + t3new_abaaba += einsum(x30, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 x31 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) x31 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ooov, (2, 3, 0, 1), (2, 3)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x31, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x31, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 - t3new_babbab += einsum(x31, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - t3new_abaaba += einsum(x31, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(x31, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x31, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 x32 = np.zeros((nvir[0], nvir[0]), dtype=np.float64) x32 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vvov, (2, 3, 0, 1), (2, 3)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x32, (2, 1), (0, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x32, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 3, 0, 4)) - t3new_babbab += einsum(x32, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 - t3new_abaaba += einsum(x32, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 + t3new_babbab += einsum(x32, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 + t3new_abaaba += einsum(x32, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 x33 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x33 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovov, (2, 1, 3, 4), (0, 2, 3, 4)) t1new_aa[np.ix_(soa,sva)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x33, (4, 0, 1, 3), (4, 2)) * -1.0 @@ -417,12 +416,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x34 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 1, 3), (0, 4)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x34, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x34, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 - t3new_babbab += einsum(x34, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - t3new_abaaba += einsum(x34, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(x34, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x34, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 x35 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x35 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) x36 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) - x36 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x35, (4, 0, 1, 3), (4, 2)) * -1.0 + x36 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x35, (4, 1, 0, 3), (4, 2)) t1new_aa[np.ix_(soa,sva)] += einsum(x36, (0, 1), (0, 1)) * -1.0 t1new_aa[np.ix_(soa,sva)] += einsum(x36, (0, 1), (0, 1)) * -1.0 del x36 @@ -437,20 +436,20 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x39 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x12, (2, 1), (0, 2)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x39, (2, 0), (2, 1)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x39, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) - t3new_babbab += einsum(x39, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 - t3new_abaaba += einsum(x39, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 + t3new_babbab += einsum(x39, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 + t3new_abaaba += einsum(x39, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 x40 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) x40 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x11, (2, 1), (0, 2)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x40, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x40, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 - t3new_babbab += einsum(x40, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - t3new_abaaba += einsum(x40, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(x40, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x40, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 x41 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) x41 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x15, (2, 1), (0, 2)) t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x41, (2, 0), (2, 1)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x41, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 - t3new_babbab += einsum(x41, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - t3new_abaaba += einsum(x41, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 + t3new_babbab += einsum(x41, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 + t3new_abaaba += einsum(x41, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 x42 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x42 += einsum(f.aa.oo, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (0, 2, 3, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x42, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 @@ -475,8 +474,8 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x45, (0, 1, 2, 3), (1, 0, 2, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x45, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x45, (4, 0, 2, 5), (4, 1, 5, 3)) - t3new_babbab += einsum(x45, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 2, 7), (4, 0, 5, 6, 3, 7)) * 2.0 - t3new_abaaba += einsum(x45, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 2, 6, 7), (0, 4, 5, 3, 6, 7)) * 2.0 + t3new_babbab += einsum(x45, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 2, 7), (4, 0, 5, 6, 3, 7)) * 2.0 + t3new_abaaba += einsum(x45, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 2, 6, 7), (0, 4, 5, 3, 6, 7)) * 2.0 x46 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x46 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x46, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 @@ -484,7 +483,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x46, (0, 1, 2, 3), (1, 0, 3, 2)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x46, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 x47 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x47 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.oooo, (4, 1, 5, 0), (4, 5, 2, 3)) * -1.0 + x47 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.oooo, (4, 0, 5, 1), (4, 5, 2, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x47, (0, 1, 2, 3), (1, 0, 3, 2)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x47, (0, 1, 2, 3), (1, 0, 3, 2)) del x47 @@ -502,27 +501,27 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x49, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x49, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 x50 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x50 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.vvvv, (4, 3, 5, 2), (0, 1, 4, 5)) * -1.0 + x50 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.vvvv, (4, 2, 5, 3), (0, 1, 4, 5)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x50, (0, 1, 2, 3), (1, 0, 3, 2)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x50, (0, 1, 2, 3), (1, 0, 3, 2)) del x50 x51 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x51 += einsum(v.aabb.oOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 1, 5, 3, 6), (6, 4, 0, 5)) + x51 += einsum(v.aabb.oOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 1, 5, 3, 6), (6, 4, 0, 5)) t2new_aaaa[np.ix_(soa,soa,sva,sVa)] += einsum(x51, (0, 1, 2, 3), (2, 1, 3, 0)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sVa)] += einsum(x51, (0, 1, 2, 3), (1, 2, 3, 0)) * -2.0 del x51 x52 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x52 += einsum(v.aabb.vVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 1), (5, 4, 6, 0)) + x52 += einsum(v.aabb.vVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 1), (5, 4, 6, 0)) t2new_aaaa[np.ix_(soa,sOa,sva,sva)] += einsum(x52, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 t2new_aaaa[np.ix_(soa,sOa,sva,sva)] += einsum(x52, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 del x52 x53 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x53 += einsum(v.aaaa.ooOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 2, 5, 6, 3), (4, 0, 5, 6)) + x53 += einsum(v.aaaa.ooOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 1, 2, 5, 6, 3), (4, 0, 5, 6)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x53, (0, 1, 2, 3), (1, 0, 3, 2)) * -6.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x53, (0, 1, 2, 3), (0, 1, 3, 2)) * 6.0 del x53 x54 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x54 += einsum(v.aaaa.vOvV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 0, 3), (4, 5, 6, 2)) + x54 += einsum(v.aaaa.vOvV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 0, 3), (4, 5, 6, 2)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x54, (0, 1, 2, 3), (0, 1, 3, 2)) * 6.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x54, (0, 1, 2, 3), (0, 1, 2, 3)) * -6.0 del x54 @@ -550,7 +549,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x60 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x60 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oooo, (2, 3, 4, 0), (2, 3, 4, 1)) x61 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x61 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x60, (2, 0, 3, 4), (2, 3, 1, 4)) + x61 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x60, (2, 0, 3, 4), (3, 2, 4, 1)) del x60 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x61, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x61, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 @@ -583,7 +582,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x67 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vvov, (2, 1, 3, 4), (0, 3, 2, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x67, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x67, (4, 1, 5, 3), (4, 0, 5, 2)) * 2.0 - t3new_babbab += einsum(x67, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * 6.0 + t3new_babbab += einsum(x67, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * 6.0 x68 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x68 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x67, (4, 1, 5, 3), (4, 0, 2, 5)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x68, (0, 1, 2, 3), (0, 1, 3, 2)) @@ -631,8 +630,8 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x77 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x77 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x77, (4, 0, 5, 2), (4, 1, 5, 3)) * -1.0 - t3new_babbab += einsum(x77, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 - t3new_abaaba += einsum(x77, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 + t3new_babbab += einsum(x77, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 + t3new_abaaba += einsum(x77, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 x78 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x78 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x77, (4, 1, 5, 3), (4, 0, 2, 5)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x78, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 @@ -648,7 +647,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x79, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x79 x80 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x80 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 3, 5, 2), (0, 1, 4, 5)) * -1.0 + x80 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 2, 5, 3), (0, 1, 4, 5)) x81 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x81 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x80, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x81, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 @@ -679,13 +678,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x86 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x86 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vOov, (1, 2, 3, 4), (2, 0, 3, 4)) x87 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x87 += einsum(x86, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 0, 5, 3, 6), (6, 1, 4, 5)) + x87 += einsum(x86, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 0, 5, 3, 6), (6, 1, 4, 5)) del x86 t2new_aaaa[np.ix_(soa,soa,sva,sVa)] += einsum(x87, (0, 1, 2, 3), (1, 2, 3, 0)) * 2.0 t2new_aaaa[np.ix_(soa,soa,sva,sVa)] += einsum(x87, (0, 1, 2, 3), (2, 1, 3, 0)) * -2.0 del x87 x88 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x88 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 1), (5, 4, 0, 6)) + x88 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 1), (5, 4, 0, 6)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x88, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 x89 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x89 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x88, (2, 3, 0, 4), (2, 3, 1, 4)) @@ -694,24 +693,24 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x89 x90 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x90 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x90, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x90, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x90, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 x91 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x91 += einsum(x90, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) + x91 += einsum(x90, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x91, (0, 1, 2, 3), (0, 1, 3, 2)) * -3.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x91, (0, 1, 2, 3), (1, 0, 3, 2)) * 3.0 del x91 x92 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x92 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oVvO, (2, 3, 1, 4), (4, 3, 0, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x92, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x92, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) x93 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x93 += einsum(x92, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) + x93 += einsum(x92, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) del x92 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x93, (0, 1, 2, 3), (0, 1, 3, 2)) * 3.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x93, (0, 1, 2, 3), (1, 0, 3, 2)) * -3.0 del x93 x94 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x94 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 2, 6, 1, 3), (4, 5, 0, 6)) + x94 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 2, 6, 1, 3), (4, 5, 0, 6)) x95 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x95 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x94, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x95, (0, 1, 2, 3), (0, 1, 2, 3)) * 6.0 @@ -719,18 +718,18 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x95 x96 = np.zeros((naocc[0], navir[0]), dtype=np.float64) x96 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovOV, (0, 1, 2, 3), (2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x96, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x96, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x96, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x96, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 2.0 del x96 x97 = np.zeros((naocc[0], navir[0]), dtype=np.float64) x97 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oVvO, (0, 2, 1, 3), (3, 2)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x97, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * -6.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x97, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * -2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x97, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * -6.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x97, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * -2.0 del x97 x98 = np.zeros((naocc[0], navir[0]), dtype=np.float64) x98 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVov, (2, 3, 0, 1), (2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x98, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x98, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 2.0 + t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x98, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x98, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 2.0 del x98 x99 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x99 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) @@ -765,8 +764,8 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x105 = np.zeros((nvir[0], nvir[0]), dtype=np.float64) x105 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 4, 1, 3), (2, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x105, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 3, 0, 4)) * -1.0 - t3new_babbab += einsum(x105, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * -2.0 - t3new_abaaba += einsum(x105, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * -2.0 + t3new_babbab += einsum(x105, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * -2.0 + t3new_abaaba += einsum(x105, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * -2.0 x106 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x106 += einsum(x105, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 4, 0)) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x106, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 @@ -803,7 +802,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x112, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 del x112 x113 = np.zeros((nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x113 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 5, 3), (0, 1, 4, 5)) + x113 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 3, 5, 2), (0, 1, 4, 5)) * -1.0 x114 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x114 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x113, (4, 5, 0, 1), (5, 4, 2, 3)) * -1.0 t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x114, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 @@ -918,7 +917,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x140 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovvv, (2, 3, 4, 1), (2, 0, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x140, (0, 1, 2, 3), (0, 1, 2, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x140, (1, 4, 3, 5), (0, 4, 2, 5)) * 2.0 - t3new_abaaba += einsum(x140, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 5, 6, 2, 7), (4, 1, 5, 6, 3, 7)) * 6.0 + t3new_abaaba += einsum(x140, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 0, 5, 6, 2, 7), (4, 1, 5, 6, 3, 7)) * 6.0 x141 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x141 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 2), (4, 1, 5, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x141, (0, 1, 2, 3), (0, 1, 2, 3)) @@ -974,13 +973,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x151 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x151 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoo, (2, 1, 3, 4), (0, 2, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x151, (4, 0, 5, 1), (4, 5, 2, 3)) - t3new_babbab += einsum(x151, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 - t3new_abaaba += einsum(x151, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 + t3new_babbab += einsum(x151, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(x151, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 x152 = np.zeros((nocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x152 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x152, (4, 0, 5, 3), (4, 1, 2, 5)) * -1.0 - t3new_babbab += einsum(x152, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -2.0 - t3new_abaaba += einsum(x152, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -2.0 + t3new_babbab += einsum(x152, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -2.0 + t3new_abaaba += einsum(x152, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -2.0 del x152 x153 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x153 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 2, 5, 1), (0, 4, 5, 3)) @@ -1003,8 +1002,8 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x156 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x156 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ooov, (2, 3, 4, 1), (2, 3, 0, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x156, (4, 0, 5, 1), (4, 5, 2, 3)) - t3new_babbab += einsum(x156, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 - t3new_abaaba += einsum(x156, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 + t3new_babbab += einsum(x156, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(x156, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 x157 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x157 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x157, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 @@ -1026,8 +1025,8 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x160 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x160 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x160, (4, 1, 5, 3), (0, 4, 2, 5)) * -1.0 - t3new_babbab += einsum(x160, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 - t3new_abaaba += einsum(x160, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 + t3new_babbab += einsum(x160, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 + t3new_abaaba += einsum(x160, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 x161 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x161 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x161, (4, 1, 3, 5), (0, 4, 2, 5)) @@ -1035,13 +1034,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x161, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x161, (0, 1, 2, 3), (1, 0, 2, 3)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x161, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - t3new_babbab += einsum(x161, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 2, 6, 7), (0, 4, 5, 3, 6, 7)) * 2.0 - t3new_abaaba += einsum(x161, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 2, 7), (4, 0, 5, 6, 3, 7)) * 2.0 + t3new_babbab += einsum(x161, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 5, 2, 6, 7), (0, 4, 5, 3, 6, 7)) * 2.0 + t3new_abaaba += einsum(x161, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 2, 7), (4, 0, 5, 6, 3, 7)) * 2.0 x162 = np.zeros((nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x162 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vvov, (2, 3, 4, 1), (0, 4, 2, 3)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x162, (4, 1, 5, 2), (0, 4, 5, 3)) * -1.0 - t3new_babbab += einsum(x162, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -2.0 - t3new_abaaba += einsum(x162, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -2.0 + t3new_babbab += einsum(x162, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -2.0 + t3new_abaaba += einsum(x162, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -2.0 x163 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x163 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 5, 3), (0, 1, 5, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x163, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 @@ -1055,69 +1054,69 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x164, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -2.0 del x164 x165 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x165 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 2, 1, 6, 3), (4, 0, 5, 6)) + x165 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 2, 1, 6, 3), (4, 0, 5, 6)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x165, (2, 0, 3, 4), (2, 3, 1, 4)) * -2.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x165, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -2.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x165, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -4.0 del x165 x166 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x166 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x166, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 0, 5, 6, 1), (2, 4, 6, 5)) * -2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x166, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 0, 5, 6, 1), (2, 4, 6, 5)) * -2.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x166, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 x167 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x167 += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 2, 6, 1, 3), (5, 0, 4, 6)) + x167 += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 2, 6, 1, 3), (5, 0, 4, 6)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x167, (2, 0, 3, 4), (2, 3, 1, 4)) * -2.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x167, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -2.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x167, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -4.0 del x167 x168 = np.zeros((naocc[1], navir[1]), dtype=np.float64) x168 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovOV, (0, 1, 2, 3), (2, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x168, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x168, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x168, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x168, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 del x168 x169 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x169 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVov, (2, 3, 4, 1), (2, 3, 0, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x169, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 0, 5, 6, 1), (4, 2, 5, 6)) * -2.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x169, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 0, 5, 6, 1), (4, 2, 5, 6)) * -2.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x169, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 x170 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x170 += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 3, 1), (4, 5, 2, 6)) + x170 += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 3, 1), (4, 5, 2, 6)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x170, (2, 3, 0, 4), (2, 3, 4, 1)) * -2.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x170, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -4.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x170, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -2.0 del x170 x171 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x171 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x171, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 0, 5, 6, 1), (4, 2, 6, 5)) * -1.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x171, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 0, 5, 6, 1), (4, 2, 6, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x171, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 x172 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x172 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oVvO, (2, 3, 1, 4), (4, 3, 0, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x172, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 0, 5, 6, 1), (4, 2, 6, 5)) + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x172, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 0, 5, 6, 1), (4, 2, 6, 5)) x173 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x173 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) + x173 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x173, (2, 3, 0, 4), (2, 3, 4, 1)) * -2.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x173, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -4.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x173, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -2.0 del x173 x174 = np.zeros((naocc[1], navir[1]), dtype=np.float64) x174 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovOV, (0, 1, 2, 3), (2, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x174, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x174, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x174, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * 2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x174, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 del x174 x175 = np.zeros((naocc[1], navir[1]), dtype=np.float64) x175 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oVvO, (0, 2, 1, 3), (3, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x175, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x175, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * -6.0 + t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x175, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * -2.0 + t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x175, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * -6.0 del x175 x176 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x176 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 5, 3), (0, 4, 1, 5)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x176, (4, 0, 5, 1), (4, 5, 2, 3)) - t3new_babbab += einsum(x176, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 - t3new_abaaba += einsum(x176, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 + t3new_babbab += einsum(x176, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(x176, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 x177 = np.zeros((nvir[1], nvir[1]), dtype=np.float64) x177 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 1, 4), (3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x177, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) * -1.0 - t3new_babbab += einsum(x177, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * -2.0 - t3new_abaaba += einsum(x177, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * -2.0 + t3new_babbab += einsum(x177, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * -2.0 + t3new_abaaba += einsum(x177, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * -2.0 x178 = np.zeros((nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x178 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 4, 5, 3), (1, 5, 2, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x178, (4, 1, 5, 2), (0, 4, 5, 3)) @@ -1219,8 +1218,8 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x197 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x197 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x13, (2, 3, 4, 1), (0, 2, 3, 4)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x197, (4, 0, 5, 1), (4, 5, 2, 3)) - t3new_babbab += einsum(x197, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 - t3new_abaaba += einsum(x197, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 + t3new_babbab += einsum(x197, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(x197, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 x198 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x198 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x33, (4, 0, 5, 3), (4, 1, 5, 2)) t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x198, (2, 3, 0, 4), (2, 3, 4, 1)) @@ -1313,27 +1312,27 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x213, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x213 x214 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x214 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.vvvv, (4, 2, 5, 3), (0, 1, 4, 5)) + x214 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.vvvv, (4, 3, 5, 2), (0, 1, 4, 5)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x214, (0, 1, 2, 3), (1, 0, 3, 2)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x214, (0, 1, 2, 3), (1, 0, 3, 2)) del x214 x215 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x215 += einsum(v.aabb.ovoO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 3, 5, 1, 6), (6, 4, 2, 5)) + x215 += einsum(v.aabb.ovoO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 3, 5, 1, 6), (6, 4, 2, 5)) t2new_bbbb[np.ix_(sob,sob,svb,sVb)] += einsum(x215, (0, 1, 2, 3), (2, 1, 3, 0)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,sVb)] += einsum(x215, (0, 1, 2, 3), (1, 2, 3, 0)) * -2.0 del x215 x216 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x216 += einsum(v.aabb.ovvV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 3), (5, 4, 6, 2)) + x216 += einsum(v.aabb.ovvV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 1, 3), (5, 4, 6, 2)) t2new_bbbb[np.ix_(sob,sOb,svb,svb)] += einsum(x216, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 t2new_bbbb[np.ix_(sob,sOb,svb,svb)] += einsum(x216, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 del x216 x217 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x217 += einsum(v.bbbb.ooOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 2, 5, 6, 3), (4, 0, 5, 6)) + x217 += einsum(v.bbbb.ooOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 2, 5, 6, 3), (4, 0, 5, 6)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x217, (0, 1, 2, 3), (1, 0, 3, 2)) * -6.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x217, (0, 1, 2, 3), (0, 1, 3, 2)) * 6.0 del x217 x218 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x218 += einsum(v.bbbb.vOvV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 0, 3), (4, 5, 6, 2)) + x218 += einsum(v.bbbb.vOvV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 0, 3), (4, 5, 6, 2)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x218, (0, 1, 2, 3), (0, 1, 3, 2)) * 6.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x218, (0, 1, 2, 3), (0, 1, 2, 3)) * -6.0 del x218 @@ -1410,7 +1409,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x234 = np.zeros((nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x234 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) x235 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x235 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x234, (4, 5, 0, 1), (4, 5, 2, 3)) + x235 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x234, (4, 5, 1, 0), (4, 5, 2, 3)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x235, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x235, (0, 1, 2, 3), (0, 1, 3, 2)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x235, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 @@ -1459,7 +1458,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x243, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x243 x244 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x244 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 3, 5, 2), (0, 1, 4, 5)) * -1.0 + x244 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 2, 5, 3), (0, 1, 4, 5)) x245 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x245 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x244, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x245, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 @@ -1480,13 +1479,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x248 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x248 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovvO, (2, 3, 1, 4), (4, 2, 0, 3)) x249 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x249 += einsum(x248, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 0, 5, 3, 6), (6, 2, 4, 5)) + x249 += einsum(x248, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 0, 5, 3, 6), (6, 2, 4, 5)) del x248 t2new_bbbb[np.ix_(sob,sob,svb,sVb)] += einsum(x249, (0, 1, 2, 3), (1, 2, 3, 0)) * 2.0 t2new_bbbb[np.ix_(sob,sob,svb,sVb)] += einsum(x249, (0, 1, 2, 3), (2, 1, 3, 0)) * -2.0 del x249 x250 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x250 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 3), (5, 4, 2, 6)) + x250 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 1, 3), (5, 4, 2, 6)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x250, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 x251 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x251 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x250, (2, 3, 0, 4), (2, 3, 1, 4)) @@ -1494,18 +1493,18 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_bbbb[np.ix_(sob,sOb,svb,svb)] += einsum(x251, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x251 x252 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x252 += einsum(x171, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) + x252 += einsum(x171, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x252, (0, 1, 2, 3), (0, 1, 3, 2)) * -3.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x252, (0, 1, 2, 3), (1, 0, 3, 2)) * 3.0 del x252 x253 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x253 += einsum(x172, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) + x253 += einsum(x172, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) del x172 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x253, (0, 1, 2, 3), (0, 1, 3, 2)) * 3.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x253, (0, 1, 2, 3), (1, 0, 3, 2)) * -3.0 del x253 x254 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x254 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 2, 6, 1, 3), (4, 5, 0, 6)) + x254 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 2, 6, 1, 3), (4, 5, 0, 6)) x255 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x255 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x254, (2, 3, 0, 4), (2, 3, 1, 4)) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x255, (0, 1, 2, 3), (0, 1, 2, 3)) * 6.0 @@ -1542,7 +1541,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x260, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 del x260 x261 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x261 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x180, (4, 1, 5, 3), (4, 0, 5, 2)) + x261 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x180, (4, 1, 5, 3), (0, 4, 2, 5)) del x180 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x261, (0, 1, 2, 3), (0, 1, 2, 3)) * 4.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x261, (0, 1, 2, 3), (0, 1, 3, 2)) * -4.0 @@ -1555,7 +1554,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x262, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 del x262 x263 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x263 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x182, (4, 1, 5, 3), (4, 0, 5, 2)) + x263 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x182, (4, 1, 5, 3), (0, 4, 2, 5)) del x182 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x263, (0, 1, 2, 3), (0, 1, 2, 3)) * -4.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x263, (0, 1, 2, 3), (0, 1, 3, 2)) * 4.0 @@ -1568,7 +1567,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x264, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 del x264 x265 = np.zeros((nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x265 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 2, 5, 3), (0, 1, 4, 5)) + x265 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 5, 2), (0, 1, 4, 5)) * -1.0 x266 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x266 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x265, (4, 5, 0, 1), (5, 4, 2, 3)) * -1.0 t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x266, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 @@ -1680,12 +1679,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x291, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 del x291 x292 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x292 += einsum(f.aa.oo, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + x292 += einsum(f.aa.oo, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) t3new_aaaaaa += einsum(x292, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x292, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x292 x293 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x293 += einsum(f.aa.vv, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x293 += einsum(f.aa.vv, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) t3new_aaaaaa += einsum(x293, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x293, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x293 @@ -1762,76 +1761,74 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x305, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x305 x306 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x306 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) + x306 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) t3new_aaaaaa += einsum(x306, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x306, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_aaaaaa += einsum(x306, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_aaaaaa += einsum(x306, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x306, (4, 5, 6, 0, 7, 2), (6, 1, 4, 7, 3, 5)) * 2.0 x307 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x307 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 1, 4, 0, 6)) - t3new_aaaaaa = np.zeros((nocc[0], nocc[0], naocc[0], nvir[0], navir[0], navir[0]), dtype=np.float64) + x307 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 1, 4, 0, 6)) t3new_aaaaaa += einsum(x307, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 1, 2)) * 2.0 t3new_aaaaaa += einsum(x307, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 1, 2)) * -2.0 del x307 x308 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x308 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 1, 7, 4, 6, 0)) - t3new_aaaaaa = np.zeros((nocc[0], naocc[0], naocc[0], nvir[0], nvir[0], navir[0]), dtype=np.float64) + x308 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 1, 7, 4, 6, 0)) t3new_aaaaaa += einsum(x308, (0, 1, 2, 3, 4, 5), (3, 0, 1, 5, 4, 2)) * 2.0 t3new_aaaaaa += einsum(x308, (0, 1, 2, 3, 4, 5), (3, 0, 1, 4, 5, 2)) * -2.0 del x308 x309 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x309 += einsum(v.aaaa.ooOO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 3, 5, 6, 7), (2, 7, 4, 0, 5, 6)) + x309 += einsum(v.aaaa.ooOO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 1, 3, 5, 6, 7), (2, 7, 4, 0, 5, 6)) t3new_aaaaaa += einsum(x309, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x309, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x309 x310 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x310 += einsum(v.aaaa.oovv, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 6, 2)) + x310 += einsum(v.aaaa.oovv, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 6, 2)) t3new_aaaaaa += einsum(x310, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x310, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 t3new_aaaaaa += einsum(x310, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x310, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 del x310 x311 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x311 += einsum(v.aaaa.ooVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 7, 3), (5, 2, 4, 0, 6, 7)) + x311 += einsum(v.aaaa.ooVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 1, 5, 6, 7, 3), (5, 2, 4, 0, 6, 7)) t3new_aaaaaa += einsum(x311, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x311, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x311 x312 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x312 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) + x312 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) t3new_aaaaaa += einsum(x312, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x312, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x312, (4, 5, 6, 0, 7, 2), (6, 1, 4, 7, 3, 5)) * 6.0 x313 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x313 += einsum(v.aaaa.oVoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 7, 3), (5, 1, 4, 0, 6, 7)) + x313 += einsum(v.aaaa.oVoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 2, 5, 6, 7, 3), (5, 1, 4, 0, 6, 7)) t3new_aaaaaa += einsum(x313, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x313, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x313 x314 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x314 += einsum(v.aaaa.vOvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 6, 0)) + x314 += einsum(v.aaaa.vOvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 6, 0)) t3new_aaaaaa += einsum(x314, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x314, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x314 x315 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x315 += einsum(v.aaaa.vvOO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 6, 0)) + x315 += einsum(v.aaaa.vvOO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 6, 0)) t3new_aaaaaa += einsum(x315, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x315, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 del x315 x316 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x316 += einsum(v.aaaa.vvVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 7, 0)) + x316 += einsum(v.aaaa.vvVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 7, 0)) t3new_aaaaaa += einsum(x316, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x316, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x316 x317 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x317 += einsum(x26, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 0, 3, 4, 5, 6), (3, 6, 1, 2, 4, 5)) + x317 += einsum(x26, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 0, 3, 4, 5, 6), (3, 6, 1, 2, 4, 5)) del x26 t3new_aaaaaa += einsum(x317, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x317, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x317 x318 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x318 += einsum(f.aa.ov, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) + x318 += einsum(f.aa.ov, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) x319 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x319 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x318, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) del x318 @@ -1840,13 +1837,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x319 x320 = np.zeros((navir[0], navir[0]), dtype=np.float64) x320 += einsum(f.aa.oV, (0, 1), t1.aa[np.ix_(soa,sVa)], (0, 2), (1, 2)) - t3new_aaaaaa += einsum(x320, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 - t3new_abaaba += einsum(x320, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 + t3new_aaaaaa += einsum(x320, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 + t3new_abaaba += einsum(x320, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 del x320 x321 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) x321 += einsum(f.aa.vO, (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 0), (1, 2)) - t3new_aaaaaa += einsum(x321, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -6.0 - t3new_abaaba += einsum(x321, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -2.0 + t3new_aaaaaa += einsum(x321, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -6.0 + t3new_abaaba += einsum(x321, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -2.0 del x321 x322 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x322 += einsum(f.aa.ov, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (2, 3, 1, 4), (3, 4, 0, 2)) @@ -1876,7 +1873,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x326 x327 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x327 += einsum(f.aa.ov, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sVa)], (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 - t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x327, (4, 0, 5, 6), (6, 5, 1, 2, 3, 4)) * 4.0 + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x327, (4, 0, 5, 6), (5, 6, 1, 2, 3, 4)) * -4.0 del x327 x328 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x328 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oooO, (2, 0, 3, 4), (4, 3, 2, 1)) @@ -2212,7 +2209,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x396, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x396 x397 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x397 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) + x397 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) x398 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x398 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x397, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x397 @@ -2222,7 +2219,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x398, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x398 x399 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x399 += einsum(v.aabb.oOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 1, 7, 4, 0, 6)) + x399 += einsum(v.aabb.oOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 1, 7, 4, 0, 6)) x400 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x400 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x399, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x399 @@ -2232,15 +2229,15 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x401 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x401 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ooov, (2, 0, 3, 4), (1, 2, 3, 4)) x402 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x402 += einsum(x401, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 4, 1, 6)) + x402 += einsum(x401, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 4, 1, 6)) t3new_aaaaaa += einsum(x402, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -2.0 t3new_aaaaaa += einsum(x402, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 2.0 del x402 x403 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x403 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oOov, (0, 2, 3, 4), (2, 1, 3, 4)) - t3new_aaaaaa += einsum(x403, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 + t3new_aaaaaa += einsum(x403, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 x404 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x404 += einsum(x67, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) + x404 += einsum(x67, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) del x67 t3new_aaaaaa += einsum(x404, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x404, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -2250,27 +2247,27 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x405 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x405 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vVov, (1, 2, 3, 4), (2, 0, 3, 4)) x406 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x406 += einsum(x405, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) + x406 += einsum(x405, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) t3new_aaaaaa += einsum(x406, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 1, 2)) * 2.0 t3new_aaaaaa += einsum(x406, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 1, 2)) * -2.0 del x406 x407 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x407 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vvov, (2, 1, 3, 4), (0, 3, 2, 4)) x408 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x408 += einsum(x407, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 6, 2)) + x408 += einsum(x407, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 6, 2)) t3new_aaaaaa += einsum(x408, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 t3new_aaaaaa += einsum(x408, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 del x408 x409 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x409 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vVov, (1, 2, 3, 4), (0, 2, 3, 4)) - t3new_aaaaaa += einsum(x409, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 + t3new_aaaaaa += einsum(x409, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 x410 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x410 += einsum(x69, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 7), (4, 7, 0, 1, 5, 6)) + x410 += einsum(x69, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (3, 2, 4, 5, 6, 7), (4, 7, 0, 1, 5, 6)) * -1.0 t3new_aaaaaa += einsum(x410, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x410, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x410 x411 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x411 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) + x411 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) x412 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x412 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x411, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x411 @@ -2280,7 +2277,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x412, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x412 x413 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x413 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) + x413 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) x414 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x414 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x413, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x413 @@ -2290,28 +2287,28 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x414, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x414 x415 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x415 += einsum(x27, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) + x415 += einsum(x27, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) del x27 t3new_aaaaaa += einsum(x415, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x415, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x415 x416 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x416 += einsum(x28, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) + x416 += einsum(x28, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) del x28 t3new_aaaaaa += einsum(x416, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x416, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x416 x417 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=np.float64) x417 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovOO, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new_abaaba += einsum(x417, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(x417, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 x418 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x418 += einsum(x417, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + x418 += einsum(x417, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x417 t3new_aaaaaa += einsum(x418, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x418, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x418 x419 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x419 += einsum(x77, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) + x419 += einsum(x77, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) del x77 t3new_aaaaaa += einsum(x419, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x419, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 @@ -2319,7 +2316,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x419, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 del x419 x420 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x420 += einsum(x45, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 2, 7), (5, 7, 0, 4, 6, 3)) + x420 += einsum(x45, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 1, 5, 6, 2, 7), (5, 7, 0, 4, 6, 3)) del x45 t3new_aaaaaa += einsum(x420, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x420, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 @@ -2328,24 +2325,24 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x420 x421 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x421 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovVV, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new_abaaba += einsum(x421, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 + t3new_abaaba += einsum(x421, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 x422 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x422 += einsum(x421, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + x422 += einsum(x421, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x421 t3new_aaaaaa += einsum(x422, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x422, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x422 x423 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x423 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oVvV, (2, 3, 1, 4), (3, 4, 0, 2)) - t3new_abaaba += einsum(x423, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 0), (2, 4, 5, 6, 7, 1)) * 2.0 + t3new_abaaba += einsum(x423, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 5, 6, 7, 0), (2, 4, 5, 6, 7, 1)) * 2.0 x424 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x424 += einsum(x423, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 0), (5, 1, 2, 4, 6, 7)) + x424 += einsum(x423, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 5, 6, 7, 0), (5, 1, 2, 4, 6, 7)) del x423 t3new_aaaaaa += einsum(x424, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x424, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x424 x425 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x425 += einsum(v.aaaa.ovOO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 0, 6)) + x425 += einsum(v.aaaa.ovOO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 0, 6)) x426 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x426 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x425, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x425 @@ -2353,7 +2350,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x426, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x426 x427 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x427 += einsum(v.aaaa.oOvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 0, 6)) + x427 += einsum(v.aaaa.oOvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 0, 6)) x428 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x428 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x427, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x427 @@ -2362,16 +2359,16 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x428 x429 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) x429 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovOO, (0, 1, 2, 3), (2, 3)) - t3new_aaaaaa += einsum(x429, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - t3new_abaaba += einsum(x429, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new_aaaaaa += einsum(x429, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_abaaba += einsum(x429, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 del x429 x430 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) x430 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oOvO, (0, 2, 1, 3), (2, 3)) - t3new_aaaaaa += einsum(x430, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 - t3new_abaaba += einsum(x430, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 + t3new_aaaaaa += einsum(x430, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 + t3new_abaaba += einsum(x430, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 del x430 x431 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x431 += einsum(v.aaaa.ovvv, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) * -1.0 + x431 += einsum(v.aaaa.ovvv, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) x432 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x432 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x431, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x431 @@ -2379,7 +2376,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x432, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x432 x433 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x433 += einsum(v.aaaa.ovVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 0, 7)) + x433 += einsum(v.aaaa.ovVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 0, 7)) x434 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x434 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x433, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x433 @@ -2387,122 +2384,122 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x434, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x434 x435 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x435 += einsum(x30, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) + x435 += einsum(x30, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) del x30 t3new_aaaaaa += einsum(x435, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x435, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x435 x436 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x436 += einsum(x29, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 0, 6), (4, 6, 2, 3, 5, 1)) + x436 += einsum(x29, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 0, 6), (4, 6, 2, 3, 5, 1)) del x29 t3new_aaaaaa += einsum(x436, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x436, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 del x436 x437 = np.zeros((navir[0], navir[0]), dtype=np.float64) x437 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovVV, (0, 1, 2, 3), (2, 3)) - t3new_aaaaaa += einsum(x437, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 - t3new_abaaba += einsum(x437, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + t3new_aaaaaa += einsum(x437, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + t3new_abaaba += einsum(x437, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 del x437 x438 = np.zeros((navir[0], navir[0]), dtype=np.float64) x438 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oVvV, (0, 2, 1, 3), (2, 3)) - t3new_aaaaaa += einsum(x438, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 - t3new_abaaba += einsum(x438, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 + t3new_aaaaaa += einsum(x438, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 + t3new_abaaba += einsum(x438, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 del x438 x439 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x439 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oooV, (2, 0, 3, 4), (1, 4, 3, 2)) - t3new_abaaba += einsum(x439, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 6, 7, 1), (3, 4, 5, 6, 7, 0)) * -2.0 + t3new_abaaba += einsum(x439, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 4, 5, 6, 7, 1), (3, 4, 5, 6, 7, 0)) * -2.0 x440 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x440 += einsum(x439, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 7, 1), (5, 0, 4, 3, 6, 7)) + x440 += einsum(x439, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 2, 5, 6, 7, 1), (5, 0, 4, 3, 6, 7)) del x439 t3new_aaaaaa += einsum(x440, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x440, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x440 x441 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x441 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oooV, (2, 3, 0, 4), (1, 4, 2, 3)) - t3new_abaaba += einsum(x441, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 + t3new_abaaba += einsum(x441, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 x442 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x442 += einsum(x441, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 4, 2, 6, 7)) + x442 += einsum(x441, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 5, 6, 7, 1), (5, 0, 4, 2, 6, 7)) del x441 t3new_aaaaaa += einsum(x442, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x442, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x442 x443 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x443 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oVOO, (0, 2, 3, 4), (3, 4, 1, 2)) - t3new_aaaaaa += einsum(x443, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 - t3new_abaaba += einsum(x443, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 + t3new_aaaaaa += einsum(x443, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 + t3new_abaaba += einsum(x443, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 del x443 x444 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x444 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oOOV, (0, 2, 3, 4), (3, 2, 1, 4)) - t3new_aaaaaa += einsum(x444, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -6.0 - t3new_abaaba += einsum(x444, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -2.0 + t3new_aaaaaa += einsum(x444, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -6.0 + t3new_abaaba += einsum(x444, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -2.0 del x444 x445 = np.zeros((navir[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) x445 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovvV, (0, 2, 3, 4), (1, 4, 3, 2)) - t3new_abaaba += einsum(x445, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 + t3new_abaaba += einsum(x445, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 x446 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x446 += einsum(x445, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 7, 2)) + x446 += einsum(x445, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 7, 2)) del x445 t3new_aaaaaa += einsum(x446, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x446, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x446 x447 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=np.float64) x447 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.oovO, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_abaaba += einsum(x447, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(x447, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 x448 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x448 += einsum(x447, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 1, 5, 6, 7), (0, 7, 4, 2, 5, 6)) + x448 += einsum(x447, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 1, 5, 6, 7), (0, 7, 4, 2, 5, 6)) del x447 t3new_aaaaaa += einsum(x448, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x448, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x448 x449 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=np.float64) x449 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vvvO, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_abaaba += einsum(x449, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -2.0 + t3new_abaaba += einsum(x449, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -2.0 x450 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x450 += einsum(x449, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 6, 2)) + x450 += einsum(x449, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 6, 2)) del x449 t3new_aaaaaa += einsum(x450, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x450, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 del x450 x451 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=np.float64) x451 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vvvO, (2, 1, 3, 4), (0, 4, 3, 2)) - t3new_abaaba += einsum(x451, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 2, 6, 7), (4, 5, 0, 3, 6, 7)) * 2.0 + t3new_abaaba += einsum(x451, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 2, 6, 7), (4, 5, 0, 3, 6, 7)) * 2.0 x452 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x452 += einsum(x451, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 2, 7), (0, 7, 4, 5, 6, 3)) + x452 += einsum(x451, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 2, 7), (0, 7, 4, 5, 6, 3)) del x451 t3new_aaaaaa += einsum(x452, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x452, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x452 x453 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x453 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vOVV, (1, 2, 3, 4), (0, 2, 3, 4)) - t3new_aaaaaa += einsum(x453, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 - t3new_abaaba += einsum(x453, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 + t3new_aaaaaa += einsum(x453, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 + t3new_abaaba += einsum(x453, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 del x453 x454 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x454 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vVOV, (1, 2, 3, 4), (0, 3, 4, 2)) - t3new_aaaaaa += einsum(x454, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 6.0 - t3new_abaaba += einsum(x454, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 2.0 + t3new_aaaaaa += einsum(x454, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 6.0 + t3new_abaaba += einsum(x454, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 2.0 del x454 x455 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x455 += einsum(x31, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) + x455 += einsum(x31, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) del x31 t3new_aaaaaa += einsum(x455, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x455, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x455 x456 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) x456 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OOov, (2, 3, 0, 1), (2, 3)) - t3new_aaaaaa += einsum(x456, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - t3new_abaaba += einsum(x456, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new_aaaaaa += einsum(x456, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_abaaba += einsum(x456, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 del x456 x457 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x457 += einsum(x32, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) + x457 += einsum(x32, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) del x32 t3new_aaaaaa += einsum(x457, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x457, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x457 x458 = np.zeros((navir[0], navir[0]), dtype=np.float64) x458 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.VVov, (2, 3, 0, 1), (2, 3)) - t3new_aaaaaa += einsum(x458, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 - t3new_abaaba += einsum(x458, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + t3new_aaaaaa += einsum(x458, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + t3new_abaaba += einsum(x458, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 del x458 x459 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x459 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oOov, (4, 5, 1, 3), (5, 0, 4, 2)) @@ -2660,7 +2657,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x489, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x489 x490 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x490 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (1, 4, 0, 5), (5, 3, 2, 4)) * -1.0 + x490 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (0, 4, 1, 5), (5, 3, 2, 4)) x491 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x491 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x490, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) t3new_aaaaaa += einsum(x491, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 @@ -2713,7 +2710,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x500 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x500 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) x501 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x501 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x500, (4, 5, 6, 1, 7, 0), (4, 5, 6, 7, 2, 3)) * -1.0 + x501 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x500, (4, 5, 6, 0, 7, 1), (4, 5, 6, 7, 2, 3)) t3new_aaaaaa += einsum(x501, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x501, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_aaaaaa += einsum(x501, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 @@ -2758,7 +2755,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x509, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 del x509 x510 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x510 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 1, 0, 5), (3, 4, 2, 5)) + x510 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 x511 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x511 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x510, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 t3new_aaaaaa += einsum(x511, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 @@ -2782,7 +2779,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x513, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x513 x514 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x514 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (4, 2, 3, 5), (1, 5, 0, 4)) + x514 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (4, 3, 2, 5), (1, 5, 0, 4)) * -1.0 x515 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x515 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x514, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) t3new_aaaaaa += einsum(x515, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 @@ -2922,7 +2919,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x541, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x541 x542 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x542 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) + x542 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) t3new_abaaba += einsum(x542, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_abaaba += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x542, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 4.0 x543 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) @@ -2934,7 +2931,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x543, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x543 x544 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x544 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) + x544 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) t3new_abaaba += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x544, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -4.0 x545 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x545 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x544, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) @@ -2945,13 +2942,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x545, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x545 x546 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x546 += einsum(x34, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + x546 += einsum(x34, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x34 t3new_aaaaaa += einsum(x546, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x546, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x546 x547 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x547 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 6, 3)) + x547 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 6, 3)) t3new_abaaba += einsum(x547, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_abaaba += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x547, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 12.0 x548 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) @@ -2963,7 +2960,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x548, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x548 x549 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x549 += einsum(x105, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x549 += einsum(x105, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) del x105 t3new_aaaaaa += einsum(x549, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_aaaaaa += einsum(x549, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 @@ -2971,72 +2968,72 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x550 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x550 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (2, 0, 4, 5)) x551 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x551 += einsum(x550, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) + x551 += einsum(x550, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) t3new_aaaaaa += einsum(x551, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 2.0 t3new_aaaaaa += einsum(x551, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -2.0 del x551 x552 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x552 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (2, 0, 4, 5)) x553 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x553 += einsum(x552, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) + x553 += einsum(x552, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) t3new_aaaaaa += einsum(x553, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * -2.0 t3new_aaaaaa += einsum(x553, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * 2.0 del x553 x554 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x554 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oVov, (4, 5, 1, 3), (2, 5, 0, 4)) - t3new_abaaba += einsum(x554, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 + t3new_abaaba += einsum(x554, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 x555 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x555 += einsum(x554, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + x555 += einsum(x554, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x554 t3new_aaaaaa += einsum(x555, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x555, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x555 x556 = np.zeros((navir[0], navir[0]), dtype=np.float64) x556 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oVov, (0, 4, 1, 3), (2, 4)) - t3new_aaaaaa += einsum(x556, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 - t3new_abaaba += einsum(x556, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + t3new_aaaaaa += einsum(x556, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + t3new_abaaba += einsum(x556, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 del x556 x557 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x557 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) x558 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x558 += einsum(x557, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) + x558 += einsum(x557, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) t3new_aaaaaa += einsum(x558, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 2.0 t3new_aaaaaa += einsum(x558, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -2.0 del x558 x559 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x559 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) x560 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x560 += einsum(x559, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) + x560 += einsum(x559, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) t3new_aaaaaa += einsum(x560, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 t3new_aaaaaa += einsum(x560, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 del x560 x561 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) x561 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vOov, (2, 4, 1, 3), (0, 4)) - t3new_aaaaaa += einsum(x561, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - t3new_abaaba += einsum(x561, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new_aaaaaa += einsum(x561, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_abaaba += einsum(x561, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 del x561 x562 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=np.float64) x562 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vOov, (4, 5, 1, 3), (0, 5, 2, 4)) - t3new_abaaba += einsum(x562, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 2.0 + t3new_abaaba += einsum(x562, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 2.0 x563 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x563 += einsum(x562, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + x563 += einsum(x562, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x562 t3new_aaaaaa += einsum(x563, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x563, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x563 x564 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x564 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (0, 2, 4, 5)) - t3new_aaaaaa += einsum(x564, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 + t3new_aaaaaa += einsum(x564, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 x565 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x565 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (0, 2, 4, 5)) - t3new_aaaaaa += einsum(x565, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 + t3new_aaaaaa += einsum(x565, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 x566 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x566 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 1, 3), (0, 4, 2, 5)) - t3new_aaaaaa += einsum(x566, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 - t3new_abaaba += einsum(x566, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 + t3new_aaaaaa += einsum(x566, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 + t3new_abaaba += einsum(x566, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 del x566 x567 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x567 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 2, 4, 5, 3, 6), (4, 6, 5, 1)) + x567 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 2, 4, 5, 3, 6), (4, 6, 5, 1)) t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x567, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * 4.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x567, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -2.0 x568 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) @@ -3046,7 +3043,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x568, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x568 x569 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x569 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 1, 3, 6), (5, 6, 4, 0)) + x569 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 1, 3, 6), (5, 6, 4, 0)) t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x569, (4, 5, 6, 0), (6, 4, 1, 2, 3, 5)) * 4.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x569, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 x570 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) @@ -3073,12 +3070,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x573 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x573 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovov, (1, 2, 4, 5), (3, 0, 4, 5)) * -1.0 x574 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x574 += einsum(x573, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) + x574 += einsum(x573, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) t3new_aaaaaa += einsum(x574, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 4.0 t3new_aaaaaa += einsum(x574, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -4.0 del x574 x575 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x575 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 1, 5, 3, 6), (6, 4, 5, 0)) + x575 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 1, 5, 3, 6), (6, 4, 5, 0)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x575, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -2.0 x576 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x576 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x575, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 @@ -3091,14 +3088,14 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x577 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x577 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovov, (0, 3, 4, 5), (1, 4, 2, 5)) * -1.0 x578 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x578 += einsum(x577, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) + x578 += einsum(x577, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) t3new_aaaaaa += einsum(x578, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 4.0 t3new_aaaaaa += einsum(x578, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -4.0 del x578 x579 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x579 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.vOov, (2, 4, 5, 6), (1, 4, 3, 0, 5, 6)) x580 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x580 += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x579, (6, 2, 7, 8, 1, 4), (6, 7, 5, 8, 0, 3)) + x580 += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x579, (6, 2, 7, 8, 1, 4), (6, 7, 5, 8, 0, 3)) del x579 t3new_aaaaaa += einsum(x580, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 4.0 t3new_aaaaaa += einsum(x580, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -4.0 @@ -3111,9 +3108,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x581 x582 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x582 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 5), (1, 3, 4, 5)) - t3new_aaaaaa += einsum(x582, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 4.0 + t3new_aaaaaa += einsum(x582, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 4.0 x583 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x583 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (0, 2, 4, 5, 1, 6), (4, 6, 5, 3)) * -1.0 + x583 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (0, 2, 4, 5, 1, 6), (4, 6, 5, 3)) * -1.0 x584 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x584 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x583, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) t3new_aaaaaa += einsum(x584, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 @@ -3122,12 +3119,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x584, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x584 x585 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x585 += einsum(x113, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 + x585 += einsum(x113, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 t3new_aaaaaa += einsum(x585, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 t3new_aaaaaa += einsum(x585, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 del x585 x586 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x586 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 3, 1, 6), (5, 6, 4, 0)) * -1.0 + x586 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 2, 5, 3, 1, 6), (5, 6, 4, 0)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x586, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -6.0 x587 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x587 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x586, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) @@ -3144,14 +3141,14 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x588, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 12.0 del x588 x589 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x589 += einsum(x37, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 + x589 += einsum(x37, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 t3new_aaaaaa += einsum(x589, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x589, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x589, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x589, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x589 x590 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x590 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) + x590 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x590, (4, 5, 6, 0, 7, 2), (6, 1, 4, 7, 3, 5)) * -6.0 x591 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x591 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x590, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) @@ -3162,25 +3159,25 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x591, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 del x591 x592 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x592 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) * -1.0 - t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x592, (4, 5, 6, 7, 0, 1), (7, 6, 4, 2, 3, 5)) * -6.0 + x592 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x592, (4, 5, 6, 7, 1, 0), (6, 7, 4, 2, 3, 5)) * -6.0 x593 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x593 += einsum(x111, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 + x593 += einsum(x111, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 t3new_aaaaaa += einsum(x593, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x593, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x593, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x593, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x593 x594 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) - x594 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (0, 2, 4, 5, 6, 3), (4, 5, 6, 1)) * -1.0 + x594 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (0, 2, 4, 5, 6, 3), (4, 5, 6, 1)) * -1.0 t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x594, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * -6.0 del x594 x595 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) - x595 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (0, 2, 4, 5, 6, 3), (4, 5, 6, 1)) * -1.0 + x595 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 0, 4, 5, 6, 3), (4, 5, 6, 1)) t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x595, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * -6.0 del x595 x596 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x596 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 1, 3), (5, 4, 0, 6)) + x596 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 2, 5, 6, 1, 3), (5, 4, 0, 6)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x596, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 6.0 x597 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x597 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x596, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 @@ -3192,43 +3189,43 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x597 x598 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x598 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (1, 2, 4, 5), (3, 5, 0, 4)) * -1.0 - t3new_abaaba += einsum(x598, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 4.0 + t3new_abaaba += einsum(x598, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 4.0 x599 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x599 += einsum(x598, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + x599 += einsum(x598, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x598 t3new_aaaaaa += einsum(x599, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 t3new_aaaaaa += einsum(x599, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 del x599 x600 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x600 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (4, 2, 1, 5), (3, 5, 0, 4)) * -1.0 - t3new_abaaba += einsum(x600, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -4.0 + t3new_abaaba += einsum(x600, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -4.0 x601 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x601 += einsum(x600, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + x601 += einsum(x600, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x600 t3new_aaaaaa += einsum(x601, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 t3new_aaaaaa += einsum(x601, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 12.0 del x601 x602 = np.zeros((navir[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x602 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (1, 4, 0, 5), (3, 5, 2, 4)) * -1.0 - t3new_abaaba += einsum(x602, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 + x602 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (0, 4, 1, 5), (3, 5, 2, 4)) + t3new_abaaba += einsum(x602, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 x603 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x603 += einsum(x602, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + x603 += einsum(x602, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) del x602 t3new_aaaaaa += einsum(x603, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_aaaaaa += einsum(x603, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x603 x604 = np.zeros((navir[0], navir[0]), dtype=np.float64) - x604 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (1, 2, 0, 4), (3, 4)) * -1.0 - t3new_aaaaaa += einsum(x604, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 - t3new_abaaba += einsum(x604, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + x604 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (0, 2, 1, 4), (3, 4)) + t3new_aaaaaa += einsum(x604, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + t3new_abaaba += einsum(x604, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 del x604 x605 = np.zeros((navir[0], navir[0]), dtype=np.float64) - x605 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (1, 2, 0, 4), (3, 4)) * -1.0 - t3new_aaaaaa += einsum(x605, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 - t3new_abaaba += einsum(x605, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + x605 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (0, 2, 1, 4), (3, 4)) + t3new_aaaaaa += einsum(x605, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + t3new_abaaba += einsum(x605, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 del x605 x606 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x606 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 3, 5, 2, 6), (6, 4, 5, 1)) + x606 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 0, 3, 5, 2, 6), (6, 4, 5, 1)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x606, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * 3.0 x607 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x607 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x606, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 @@ -3239,16 +3236,16 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x607, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x607 x608 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=np.float64) - x608 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (4, 2, 3, 5), (1, 5, 0, 4)) + x608 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (4, 3, 2, 5), (1, 5, 0, 4)) * -1.0 x609 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x609 += einsum(x608, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + x609 += einsum(x608, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) t3new_aaaaaa += einsum(x609, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 t3new_aaaaaa += einsum(x609, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 t3new_aaaaaa += einsum(x609, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 t3new_aaaaaa += einsum(x609, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 del x609 x610 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x610 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) + x610 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x610, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -3.0 x611 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x611 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x610, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 @@ -3259,48 +3256,48 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x611, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x611 x612 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x612 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 3, 1, 2, 6), (6, 4, 5, 0)) * -1.0 - t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x612, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * -12.0 + x612 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 3, 2, 1, 6), (6, 4, 5, 0)) + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x612, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * 12.0 del x612 x613 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=np.float64) x613 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (0, 3, 4, 5), (1, 5, 2, 4)) * -1.0 - t3new_abaaba += einsum(x613, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 4.0 + t3new_abaaba += einsum(x613, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 4.0 x614 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x614 += einsum(x613, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + x614 += einsum(x613, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x613 t3new_aaaaaa += einsum(x614, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 t3new_aaaaaa += einsum(x614, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 del x614 x615 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) - x615 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (0, 2, 3, 4), (1, 4)) + x615 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (0, 3, 2, 4), (1, 4)) * -1.0 x616 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x616 += einsum(x615, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) + x616 += einsum(x615, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) t3new_aaaaaa += einsum(x616, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x616, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x616 x617 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=np.float64) x617 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 - t3new_abaaba += einsum(x617, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -4.0 + t3new_abaaba += einsum(x617, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -4.0 x618 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x618 += einsum(x617, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + x618 += einsum(x617, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x617 t3new_aaaaaa += einsum(x618, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 t3new_aaaaaa += einsum(x618, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 del x618 x619 = np.zeros((naocc[0], naocc[0], navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x619 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) - t3new_abaaba += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x619, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * -2.0 + t3new_abaaba += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x619, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * -2.0 x620 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x620 += einsum(t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (0, 1, 2, 3, 4, 5), x619, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) + x620 += einsum(t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (0, 1, 2, 3, 4, 5), x619, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) del x619 t3new_aaaaaa += einsum(x620, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x620, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x620 x621 = np.zeros((naocc[0], naocc[0], navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x621 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (1, 6, 3, 5, 0, 4)) - t3new_abaaba += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x621, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * 2.0 + t3new_abaaba += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x621, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * 2.0 x622 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x622 += einsum(t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (0, 1, 2, 3, 4, 5), x621, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) + x622 += einsum(t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (0, 1, 2, 3, 4, 5), x621, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) del x621 t3new_aaaaaa += einsum(x622, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x622, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 @@ -3313,13 +3310,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x623 x624 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x624 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) - t3new_aaaaaa += einsum(x624, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 12.0 - t3new_abaaba += einsum(x624, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 4.0 + t3new_aaaaaa += einsum(x624, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 12.0 + t3new_abaaba += einsum(x624, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 4.0 del x624 x625 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x625 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (1, 5, 3, 4)) - t3new_aaaaaa += einsum(x625, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -12.0 - t3new_abaaba += einsum(x625, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -4.0 + t3new_aaaaaa += einsum(x625, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -12.0 + t3new_abaaba += einsum(x625, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -4.0 del x625 x626 = np.zeros((naocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x626 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovoO, (2, 1, 3, 4), (4, 0, 3, 2)) @@ -3698,7 +3695,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x710, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x710 x711 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x711 += einsum(x33, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) + x711 += einsum(x33, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) x712 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x712 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x711, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x711 @@ -3713,7 +3710,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x714 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x714 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x713, (2, 3, 1, 4), (2, 0, 3, 4)) x715 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x715 += einsum(x714, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) + x715 += einsum(x714, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) t3new_aaaaaa += einsum(x715, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * -2.0 t3new_aaaaaa += einsum(x715, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * 2.0 del x715 @@ -3721,7 +3718,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x716 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.ovov, (2, 1, 3, 4), (0, 2, 3, 4)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x716, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 x717 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x717 += einsum(x716, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (0, 5, 7, 4, 1, 6)) + x717 += einsum(x716, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (0, 5, 7, 4, 1, 6)) x718 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x718 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x717, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x717 @@ -3730,14 +3727,14 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x718 x719 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x719 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aabb.ovov, (0, 3, 4, 5), (2, 1, 4, 5)) - t3new_aaaaaa += einsum(x719, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 + t3new_aaaaaa += einsum(x719, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 x720 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x720 += einsum(x121, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 + x720 += einsum(x121, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 t3new_aaaaaa += einsum(x720, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 t3new_aaaaaa += einsum(x720, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 del x720 x721 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x721 += einsum(x35, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) + x721 += einsum(x35, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) x722 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x722 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x721, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x721 @@ -3747,7 +3744,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x722, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x722 x723 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x723 += einsum(x35, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) + x723 += einsum(x35, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) x724 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x724 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x723, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x723 @@ -3757,13 +3754,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x724, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x724 x725 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x725 += einsum(x39, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + x725 += einsum(x39, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x39 t3new_aaaaaa += einsum(x725, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x725, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x725 x726 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x726 += einsum(x40, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + x726 += einsum(x40, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x40 t3new_aaaaaa += einsum(x726, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x726, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 @@ -3774,7 +3771,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x727, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 6.0 del x727 x728 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x728 += einsum(x11, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x728 += einsum(x11, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) x729 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x729 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x728, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x728 @@ -3782,7 +3779,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x729, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x729 x730 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x730 += einsum(x12, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x730 += einsum(x12, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) x731 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x731 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x730, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x730 @@ -3794,9 +3791,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x733 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x733 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x732, (2, 3, 4, 1), (2, 3, 0, 4)) del x732 - t3new_abaaba += einsum(x733, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 + t3new_abaaba += einsum(x733, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 x734 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x734 += einsum(x733, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + x734 += einsum(x733, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x733 t3new_aaaaaa += einsum(x734, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x734, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 @@ -3806,9 +3803,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x736 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) x736 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x735, (2, 3, 4, 1), (2, 3, 0, 4)) del x735 - t3new_abaaba += einsum(x736, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 + t3new_abaaba += einsum(x736, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 x737 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x737 += einsum(x736, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + x737 += einsum(x736, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x736 t3new_aaaaaa += einsum(x737, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_aaaaaa += einsum(x737, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 @@ -3816,7 +3813,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x738 = np.zeros((navir[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) x738 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) x739 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x739 += einsum(x738, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + x739 += einsum(x738, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) x740 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x740 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x739, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x739 @@ -3828,24 +3825,24 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x742 = np.zeros((navir[0], navir[0]), dtype=np.float64) x742 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x741, (2, 0), (1, 2)) del x741 - t3new_aaaaaa += einsum(x742, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 - t3new_abaaba += einsum(x742, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + t3new_aaaaaa += einsum(x742, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + t3new_abaaba += einsum(x742, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 del x742 x743 = np.zeros((navir[0], nocc[0]), dtype=np.float64) x743 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovoV, (2, 1, 0, 3), (3, 2)) x744 = np.zeros((navir[0], navir[0]), dtype=np.float64) x744 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x743, (2, 0), (1, 2)) del x743 - t3new_aaaaaa += einsum(x744, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 - t3new_abaaba += einsum(x744, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + t3new_aaaaaa += einsum(x744, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + t3new_abaaba += einsum(x744, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 del x744 x745 = np.zeros((naocc[0], naocc[0], nocc[0], nvir[0]), dtype=np.float64) x745 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) x746 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=np.float64) x746 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x745, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba += einsum(x746, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) + t3new_abaaba += einsum(x746, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) x747 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x747 += einsum(x746, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + x747 += einsum(x746, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x746 t3new_aaaaaa += einsum(x747, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 t3new_aaaaaa += einsum(x747, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 @@ -3854,15 +3851,15 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x748 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvO, (2, 1, 3, 4), (0, 4, 2, 3)) x749 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=np.float64) x749 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x748, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba += einsum(x749, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -1.0 + t3new_abaaba += einsum(x749, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -1.0 x750 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x750 += einsum(x749, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + x750 += einsum(x749, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x749 t3new_aaaaaa += einsum(x750, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 t3new_aaaaaa += einsum(x750, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 3.0 del x750 x751 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x751 += einsum(x748, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + x751 += einsum(x748, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) x752 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x752 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x751, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x751 @@ -3870,7 +3867,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x752, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x752 x753 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x753 += einsum(x745, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + x753 += einsum(x745, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) x754 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x754 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x753, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x753 @@ -3882,41 +3879,41 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x756 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) x756 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), x755, (2, 1), (0, 2)) del x755 - t3new_aaaaaa += einsum(x756, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - t3new_abaaba += einsum(x756, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new_aaaaaa += einsum(x756, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_abaaba += einsum(x756, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 del x756 x757 = np.zeros((naocc[0], nvir[0]), dtype=np.float64) x757 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvO, (0, 2, 1, 3), (3, 2)) x758 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) x758 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), x757, (2, 1), (0, 2)) del x757 - t3new_aaaaaa += einsum(x758, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 - t3new_abaaba += einsum(x758, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 + t3new_aaaaaa += einsum(x758, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 + t3new_abaaba += einsum(x758, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 del x758 x759 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0]), dtype=np.float64) x759 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovOV, (2, 1, 3, 4), (0, 3, 4, 2)) x760 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x760 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x759, (2, 3, 4, 0), (2, 3, 1, 4)) del x759 - t3new_aaaaaa += einsum(x760, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 - t3new_abaaba += einsum(x760, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 + t3new_aaaaaa += einsum(x760, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 + t3new_abaaba += einsum(x760, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 del x760 x761 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0]), dtype=np.float64) x761 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.oVvO, (2, 3, 1, 4), (0, 4, 3, 2)) x762 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) x762 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x761, (2, 3, 4, 0), (2, 3, 1, 4)) del x761 - t3new_aaaaaa += einsum(x762, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 - t3new_abaaba += einsum(x762, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 + t3new_aaaaaa += einsum(x762, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 + t3new_abaaba += einsum(x762, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 del x762 x763 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x763 += einsum(x41, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + x763 += einsum(x41, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x41 t3new_aaaaaa += einsum(x763, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_aaaaaa += einsum(x763, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x763 x764 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x764 += einsum(x15, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x764 += einsum(x15, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) x765 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x765 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x764, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x764 @@ -3928,16 +3925,16 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x767 = np.zeros((navir[0], navir[0]), dtype=np.float64) x767 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x766, (2, 0), (1, 2)) del x766 - t3new_aaaaaa += einsum(x767, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 - t3new_abaaba += einsum(x767, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + t3new_aaaaaa += einsum(x767, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + t3new_abaaba += einsum(x767, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 del x767 x768 = np.zeros((naocc[0], nvir[0]), dtype=np.float64) x768 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vOov, (2, 3, 0, 1), (3, 2)) x769 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) x769 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), x768, (2, 1), (0, 2)) del x768 - t3new_aaaaaa += einsum(x769, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - t3new_abaaba += einsum(x769, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new_aaaaaa += einsum(x769, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_abaaba += einsum(x769, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 del x769 x770 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x770 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x119, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) @@ -4322,11 +4319,11 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x851 x852 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x852 += einsum(x11, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sVa)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 - t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x852, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * 4.0 + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x852, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -4.0 del x852 x853 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x853 += einsum(x12, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sVa)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 - t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x853, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * -4.0 + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x853, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * 4.0 del x853 x854 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x854 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x375, (4, 1, 5, 3), (4, 0, 2, 5)) @@ -4340,7 +4337,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x855, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x855 x856 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x856 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x375, (4, 5, 2, 3), (1, 4, 0, 5)) * -1.0 + x856 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x375, (4, 5, 3, 2), (1, 4, 0, 5)) x857 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x857 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x856, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 t3new_aaaaaa += einsum(x857, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 @@ -4369,7 +4366,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_aaaaaa += einsum(x861, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x861 x862 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x862 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x375, (4, 5, 2, 3), (4, 0, 1, 5)) + x862 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x375, (4, 5, 3, 2), (4, 0, 1, 5)) * -1.0 x863 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x863 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x862, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) del x862 @@ -4470,7 +4467,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x882 x883 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) x883 += einsum(x15, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sVa)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 - t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x883, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * 4.0 + t3new_aaaaaa += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x883, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -4.0 del x883 x884 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x884 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x121, (4, 5, 0, 6), (1, 3, 5, 4, 6, 2)) @@ -4609,35 +4606,35 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_babbab += einsum(x915, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_babbab += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x915, (4, 5, 1, 6, 3, 7), (6, 0, 4, 7, 2, 5)) * 4.0 x916 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x916 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) + x916 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) t3new_babbab += einsum(x916, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x916, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * 4.0 del x916 x917 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x917 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) + x917 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) t3new_babbab += einsum(x917, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_babbab += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x917, (4, 5, 1, 6, 3, 7), (6, 0, 4, 7, 2, 5)) * 4.0 x918 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x918 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) + x918 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) t3new_babbab += einsum(x918, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_babbab += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x918, (4, 5, 1, 6, 3, 7), (6, 0, 4, 7, 2, 5)) * 12.0 x919 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x919 += einsum(f.aa.ov, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 3, 2, 5)) + x919 += einsum(f.aa.ov, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 3, 2, 5)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x919, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x919 x920 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x920 += einsum(f.bb.ov, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 0, 2, 5)) + x920 += einsum(f.bb.ov, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 0, 2, 5)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x920, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x920 x921 = np.zeros((navir[1], navir[1]), dtype=np.float64) x921 += einsum(f.bb.oV, (0, 1), t1.bb[np.ix_(sob,sVb)], (0, 2), (1, 2)) - t3new_babbab += einsum(x921, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 - t3new_bbbbbb += einsum(x921, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 + t3new_babbab += einsum(x921, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 + t3new_bbbbbb += einsum(x921, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 del x921 x922 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x922 += einsum(f.bb.vO, (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 0), (1, 2)) - t3new_babbab += einsum(x922, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -2.0 - t3new_bbbbbb += einsum(x922, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -6.0 + t3new_babbab += einsum(x922, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -2.0 + t3new_bbbbbb += einsum(x922, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -6.0 del x922 x923 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x923 += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(soa,sOb,sva,sVb)], (2, 3, 1, 4), (3, 4, 0, 2)) @@ -4728,7 +4725,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x946 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x946 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (5, 6, 0, 1, 4, 2)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x946, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - t3new_abaaba += einsum(t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (0, 1, 2, 3, 4, 5), x946, (2, 5, 6, 7, 0, 8), (6, 7, 1, 8, 3, 4)) * -1.0 + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (0, 1, 2, 3, 4, 5), x946, (2, 5, 6, 7, 0, 8), (6, 7, 1, 8, 3, 4)) * -1.0 del x946 x947 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x947 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oOvV, (2, 3, 1, 4), (3, 4, 0, 2)) @@ -4856,193 +4853,193 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x982 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x982, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 x983 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x983 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) + x983 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x983, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x983 x984 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x984 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 2, 4, 6)) + x984 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 2, 4, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x984, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x984 x985 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=np.float64) x985 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovOO, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new_babbab += einsum(x985, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 + t3new_babbab += einsum(x985, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 del x985 x986 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x986 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovVV, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new_babbab += einsum(x986, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 + t3new_babbab += einsum(x986, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 del x986 x987 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x987 += einsum(v.aabb.ovOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 6, 1, 7), (2, 7, 5, 0, 4, 6)) + x987 += einsum(v.aabb.ovOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 3, 6, 1, 7), (2, 7, 5, 0, 4, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x987, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x987 x988 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x988 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovOO, (0, 1, 2, 3), (2, 3)) - t3new_babbab += einsum(x988, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - t3new_bbbbbb += einsum(x988, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_babbab += einsum(x988, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new_bbbbbb += einsum(x988, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 del x988 x989 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x989 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 1, 7), (5, 7, 4, 0, 2, 6)) + x989 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 1, 7), (5, 7, 4, 0, 2, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x989, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x989 x990 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x990 += einsum(v.aabb.ovvv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 1, 7), (6, 7, 5, 0, 4, 2)) + x990 += einsum(v.aabb.ovvv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 3, 1, 7), (6, 7, 5, 0, 4, 2)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x990, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x990 x991 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x991 += einsum(v.aabb.ovVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 7, 1, 3), (6, 2, 5, 0, 4, 7)) + x991 += einsum(v.aabb.ovVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 7, 1, 3), (6, 2, 5, 0, 4, 7)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x991, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x991 x992 = np.zeros((navir[1], navir[1]), dtype=np.float64) x992 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovVV, (0, 1, 2, 3), (2, 3)) - t3new_babbab += einsum(x992, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 - t3new_bbbbbb += einsum(x992, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + t3new_babbab += einsum(x992, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + t3new_bbbbbb += einsum(x992, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 del x992 x993 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x993 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) + x993 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x993, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -6.0 del x993 x994 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x994 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.OVoO, (2, 3, 0, 4), (2, 4, 3, 1)) - t3new_babbab += einsum(x994, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * -2.0 + t3new_babbab += einsum(x994, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * -2.0 del x994 x995 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x995 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.OVvV, (2, 3, 1, 4), (2, 0, 3, 4)) - t3new_babbab += einsum(x995, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * 2.0 + t3new_babbab += einsum(x995, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * 2.0 del x995 x996 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) x996 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVoO, (2, 3, 0, 4), (2, 4, 3, 1)) - t3new_babbab += einsum(x996, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * 2.0 + t3new_babbab += einsum(x996, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * 2.0 del x996 x997 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) x997 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.OVvv, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new_babbab += einsum(x997, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * -2.0 + t3new_babbab += einsum(x997, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * -2.0 del x997 x998 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) x998 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVvV, (2, 3, 1, 4), (2, 3, 4, 0)) - t3new_babbab += einsum(x998, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -2.0 + t3new_babbab += einsum(x998, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -2.0 del x998 x999 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) x999 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.OVoo, (2, 3, 4, 0), (2, 3, 1, 4)) - t3new_babbab += einsum(x999, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * 2.0 + t3new_babbab += einsum(x999, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * 2.0 del x999 x1000 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x1000 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVvv, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab += einsum(x1000, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 + t3new_babbab += einsum(x1000, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 del x1000 x1001 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x1001 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVoo, (2, 3, 4, 0), (2, 3, 4, 1)) - t3new_babbab += einsum(x1001, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 + t3new_babbab += einsum(x1001, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 del x1001 x1002 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1002 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) + x1002 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1002, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1002 x1003 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1003 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) + x1003 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1003, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1003 x1004 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1004 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) + x1004 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1004, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1004 x1005 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=np.float64) x1005 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovOO, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new_babbab += einsum(x1005, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 + t3new_babbab += einsum(x1005, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 x1006 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1006 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovVV, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new_babbab += einsum(x1006, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 + t3new_babbab += einsum(x1006, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 x1007 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1007 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oVvV, (2, 3, 1, 4), (3, 4, 0, 2)) - t3new_babbab += einsum(x1007, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 0), (2, 4, 5, 6, 7, 1)) * 2.0 + t3new_babbab += einsum(x1007, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 7, 0), (2, 4, 5, 6, 7, 1)) * 2.0 x1008 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1008 += einsum(v.bbbb.ovOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 1, 6, 7), (2, 7, 5, 4, 0, 6)) + x1008 += einsum(v.bbbb.ovOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 3, 1, 6, 7), (2, 7, 5, 4, 0, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1008, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1008 x1009 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1009 += einsum(v.bbbb.oOvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 2, 6, 7), (1, 7, 5, 4, 0, 6)) + x1009 += einsum(v.bbbb.oOvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 3, 2, 6, 7), (1, 7, 5, 4, 0, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1009, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1009 x1010 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x1010 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovOO, (0, 1, 2, 3), (2, 3)) - t3new_babbab += einsum(x1010, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - t3new_bbbbbb += einsum(x1010, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_babbab += einsum(x1010, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new_bbbbbb += einsum(x1010, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 del x1010 x1011 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x1011 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oOvO, (0, 2, 1, 3), (2, 3)) - t3new_babbab += einsum(x1011, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 - t3new_bbbbbb += einsum(x1011, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 + t3new_babbab += einsum(x1011, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 + t3new_bbbbbb += einsum(x1011, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 del x1011 x1012 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1012 += einsum(v.bbbb.ovVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 1, 7, 3), (6, 2, 5, 4, 0, 7)) + x1012 += einsum(v.bbbb.ovVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 1, 7, 3), (6, 2, 5, 4, 0, 7)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1012, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1012 x1013 = np.zeros((navir[1], navir[1]), dtype=np.float64) x1013 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovVV, (0, 1, 2, 3), (2, 3)) - t3new_babbab += einsum(x1013, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 - t3new_bbbbbb += einsum(x1013, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + t3new_babbab += einsum(x1013, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + t3new_bbbbbb += einsum(x1013, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 del x1013 x1014 = np.zeros((navir[1], navir[1]), dtype=np.float64) x1014 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oVvV, (0, 2, 1, 3), (2, 3)) - t3new_babbab += einsum(x1014, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 - t3new_bbbbbb += einsum(x1014, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 + t3new_babbab += einsum(x1014, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 + t3new_bbbbbb += einsum(x1014, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 del x1014 x1015 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1015 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oooV, (2, 0, 3, 4), (1, 4, 3, 2)) - t3new_babbab += einsum(x1015, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 6, 7, 1), (3, 4, 5, 6, 7, 0)) * -2.0 + t3new_babbab += einsum(x1015, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 6, 7, 1), (3, 4, 5, 6, 7, 0)) * -2.0 x1016 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1016 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oooV, (2, 3, 0, 4), (1, 4, 2, 3)) - t3new_babbab += einsum(x1016, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 + t3new_babbab += einsum(x1016, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 x1017 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1017 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.oooV, (2, 3, 0, 4), (1, 4, 2, 3)) - t3new_babbab += einsum(x1017, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 + t3new_babbab += einsum(x1017, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 del x1017 x1018 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1018 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oVOO, (0, 2, 3, 4), (3, 4, 1, 2)) - t3new_babbab += einsum(x1018, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 - t3new_bbbbbb += einsum(x1018, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 + t3new_babbab += einsum(x1018, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 + t3new_bbbbbb += einsum(x1018, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 del x1018 x1019 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1019 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oOOV, (0, 2, 3, 4), (3, 2, 1, 4)) - t3new_babbab += einsum(x1019, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -2.0 - t3new_bbbbbb += einsum(x1019, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -6.0 + t3new_babbab += einsum(x1019, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -2.0 + t3new_bbbbbb += einsum(x1019, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -6.0 del x1019 x1020 = np.zeros((navir[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1020 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovvV, (0, 2, 3, 4), (1, 4, 3, 2)) - t3new_babbab += einsum(x1020, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 + t3new_babbab += einsum(x1020, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 x1021 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1021 += einsum(v.aabb.vvov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 1, 7), (6, 7, 5, 4, 2, 0)) + x1021 += einsum(v.aabb.vvov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 3, 1, 7), (6, 7, 5, 4, 2, 0)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1021, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1021 x1022 = np.zeros((navir[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) x1022 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.vvoV, (2, 3, 0, 4), (1, 4, 2, 3)) - t3new_babbab += einsum(x1022, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -2.0 + t3new_babbab += einsum(x1022, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -2.0 del x1022 x1023 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=np.float64) x1023 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.oovO, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_babbab += einsum(x1023, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 + t3new_babbab += einsum(x1023, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 x1024 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=np.float64) x1024 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.oovO, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_babbab += einsum(x1024, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 + t3new_babbab += einsum(x1024, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 del x1024 x1025 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=np.float64) x1025 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vvvO, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_babbab += einsum(x1025, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -2.0 + t3new_babbab += einsum(x1025, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -2.0 x1026 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=np.float64) x1026 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vvvO, (2, 1, 3, 4), (0, 4, 3, 2)) - t3new_babbab += einsum(x1026, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 2, 6, 7), (4, 5, 0, 3, 6, 7)) * 2.0 + t3new_babbab += einsum(x1026, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 2, 6, 7), (4, 5, 0, 3, 6, 7)) * 2.0 x1027 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1027 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vOVV, (1, 2, 3, 4), (0, 2, 3, 4)) - t3new_babbab += einsum(x1027, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 - t3new_bbbbbb += einsum(x1027, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 + t3new_babbab += einsum(x1027, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 + t3new_bbbbbb += einsum(x1027, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 del x1027 x1028 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1028 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vVOV, (1, 2, 3, 4), (0, 3, 4, 2)) - t3new_babbab += einsum(x1028, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 2.0 - t3new_bbbbbb += einsum(x1028, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 6.0 + t3new_babbab += einsum(x1028, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 2.0 + t3new_bbbbbb += einsum(x1028, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 6.0 del x1028 x1029 = np.zeros((naocc[1], naocc[1], nvir[0], nvir[0]), dtype=np.float64) x1029 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.vvvO, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_babbab += einsum(x1029, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 + t3new_babbab += einsum(x1029, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 del x1029 x1030 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) x1030 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoO, (0, 4, 1, 5), (5, 3, 2, 4)) * -1.0 @@ -5146,7 +5143,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x1056 x1057 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1057 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1057, (4, 5, 6, 0, 7, 3), (1, 6, 4, 7, 2, 5)) * -1.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1057, (4, 5, 6, 0, 3, 7), (1, 6, 4, 7, 2, 5)) * -1.0 x1058 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) x1058 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1058, (4, 5, 6, 0, 7, 2), (1, 6, 4, 3, 7, 5)) * -1.0 @@ -5262,7 +5259,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1088, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 x1089 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1089 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1089, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -2.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1089, (4, 5, 6, 1, 3, 7), (6, 0, 4, 7, 2, 5)) * -2.0 x1090 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1090 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1090, (4, 5, 3, 6), (1, 0, 4, 6, 2, 5)) * -2.0 @@ -5305,7 +5302,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1101, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -2.0 x1102 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x1102 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 6, 2), (1, 3, 0, 6, 4, 5)) - t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1102, (4, 5, 6, 1, 2, 7), (6, 0, 4, 3, 7, 5)) * -2.0 + t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1102, (4, 5, 6, 1, 7, 2), (6, 0, 4, 3, 7, 5)) * -2.0 x1103 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) x1103 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 0, 2), (1, 3, 4, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1103, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * 2.0 @@ -5336,331 +5333,329 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x1109 x1110 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1110 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (5, 1, 6, 3, 0, 4)) - t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1110, (2, 6, 5, 7, 8, 0), (1, 8, 6, 4, 3, 7)) * -1.0 + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x1110, (2, 6, 5, 7, 8, 0), (1, 8, 6, 4, 3, 7)) * -1.0 del x1110 x1111 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1111 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (6, 1, 5, 3, 0, 4)) - t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1111, (2, 6, 5, 7, 8, 0), (1, 8, 6, 4, 3, 7)) + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x1111, (2, 6, 5, 7, 8, 0), (1, 8, 6, 4, 3, 7)) del x1111 x1112 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1112 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (4, 1, 5, 3)) - t3new_babbab += einsum(x1112, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * 2.0 + t3new_babbab += einsum(x1112, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * 2.0 del x1112 x1113 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1113 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (5, 1, 4, 3)) - t3new_babbab += einsum(x1113, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * -2.0 + t3new_babbab += einsum(x1113, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * -2.0 del x1113 x1114 = np.zeros((naocc[0], naocc[1], navir[0], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1114 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (5, 1, 6, 0, 4, 3)) * -1.0 - t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (0, 1, 2, 3, 4, 5), x1114, (2, 6, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * -1.0 + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (0, 1, 2, 3, 4, 5), x1114, (2, 6, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * -1.0 del x1114 x1115 = np.zeros((naocc[0], naocc[1], navir[0], nocc[0], nocc[0], nvir[1]), dtype=np.float64) x1115 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (6, 1, 5, 0, 4, 3)) * -1.0 - t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (0, 1, 2, 3, 4, 5), x1115, (2, 6, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (0, 1, 2, 3, 4, 5), x1115, (2, 6, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) del x1115 x1116 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1116 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 2, 1, 6, 3), (6, 4, 0, 5)) * -1.0 + x1116 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (4, 5, 2, 1, 6, 3), (6, 4, 0, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1116, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -2.0 del x1116 x1117 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) x1117 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (4, 1, 5, 3)) * -1.0 - t3new_babbab += einsum(x1117, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * 2.0 + t3new_babbab += einsum(x1117, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * 2.0 del x1117 x1118 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) x1118 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (5, 1, 4, 3)) * -1.0 - t3new_babbab += einsum(x1118, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * -2.0 + t3new_babbab += einsum(x1118, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * -2.0 del x1118 x1119 = np.zeros((naocc[0], navir[0], navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1119 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (5, 6, 3, 0, 4, 1)) * -1.0 - t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1119, (2, 5, 6, 7, 0, 8), (8, 7, 1, 4, 3, 6)) * -1.0 + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x1119, (2, 5, 6, 7, 0, 8), (8, 7, 1, 4, 3, 6)) * -1.0 del x1119 x1120 = np.zeros((naocc[0], navir[0], navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1120 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (6, 5, 3, 0, 4, 1)) * -1.0 - t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1120, (2, 5, 6, 7, 0, 8), (8, 7, 1, 4, 3, 6)) + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x1120, (2, 5, 6, 7, 0, 8), (8, 7, 1, 4, 3, 6)) del x1120 x1121 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1121 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) * -1.0 + x1121 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1121, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -2.0 del x1121 x1122 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) x1122 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (4, 5, 3, 1)) * -1.0 - t3new_babbab += einsum(x1122, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * 2.0 + t3new_babbab += einsum(x1122, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * 2.0 del x1122 x1123 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) x1123 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (5, 4, 3, 1)) * -1.0 - t3new_babbab += einsum(x1123, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -2.0 + t3new_babbab += einsum(x1123, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -2.0 del x1123 x1124 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1124 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (5, 6, 0, 4, 1, 3)) - t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (0, 1, 2, 3, 4, 5), x1124, (2, 5, 6, 0, 7, 8), (7, 6, 1, 8, 3, 4)) * -1.0 + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (0, 1, 2, 3, 4, 5), x1124, (2, 5, 6, 0, 7, 8), (7, 6, 1, 8, 3, 4)) * -1.0 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1124, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 del x1124 x1125 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1125 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (6, 5, 0, 4, 1, 3)) - t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (0, 1, 2, 3, 4, 5), x1125, (2, 5, 6, 0, 7, 8), (7, 6, 1, 8, 3, 4)) + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (0, 1, 2, 3, 4, 5), x1125, (2, 5, 6, 0, 7, 8), (7, 6, 1, 8, 3, 4)) del x1125 x1126 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1126 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 2, 1, 6, 3), (5, 6, 4, 0)) + x1126 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (4, 5, 2, 1, 6, 3), (5, 6, 4, 0)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1126, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -2.0 del x1126 x1127 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x1127 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (4, 5, 1, 3)) - t3new_babbab += einsum(x1127, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 + t3new_babbab += einsum(x1127, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 del x1127 x1128 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x1128 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (5, 4, 1, 3)) - t3new_babbab += einsum(x1128, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 + t3new_babbab += einsum(x1128, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 del x1128 x1129 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) - x1129 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 4, 3, 5, 6), (4, 6, 5, 1)) + x1129 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 0, 4, 3, 5, 6), (4, 6, 5, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1129, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * -2.0 del x1129 x1130 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1130 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 4, 5, 1, 6), (4, 6, 5, 3)) + x1130 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 0, 4, 5, 1, 6), (4, 6, 5, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1130, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * -2.0 - t3new_bbbbbb = np.zeros((nocc[1], nocc[1], naocc[1], nvir[1], navir[1], navir[1]), dtype=np.float64) t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1130, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * 4.0 x1131 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1131 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 3, 1, 6), (5, 6, 4, 2)) + x1131 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 3, 1, 6), (5, 6, 4, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1131, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 - t3new_bbbbbb = np.zeros((nocc[1], naocc[1], naocc[1], nvir[1], nvir[1], navir[1]), dtype=np.float64) t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1131, (4, 5, 6, 0), (6, 4, 1, 2, 3, 5)) * 4.0 x1132 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1132 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 3, 6, 7), (5, 7, 4, 2, 6, 1)) + x1132 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 3, 6, 7), (5, 7, 4, 2, 6, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1132, (4, 5, 6, 1, 7, 2), (6, 0, 4, 3, 7, 5)) * 2.0 del x1132 x1133 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1133 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 6, 3)) + x1133 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 6, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1133, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 2.0 t3new_bbbbbb += einsum(x1133, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1133, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 t3new_bbbbbb += einsum(x1133, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x1133, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 x1134 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1134 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 3, 1, 6), (5, 6, 4, 0)) + x1134 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 3, 1, 6), (5, 6, 4, 0)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1134, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -2.0 del x1134 x1135 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x1135 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) + x1135 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1135, (4, 5, 6, 0, 7, 2), (1, 6, 4, 3, 7, 5)) * 2.0 del x1135 x1136 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1136 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) + x1136 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1136, (4, 5, 6, 0, 7, 3), (1, 6, 4, 7, 2, 5)) * 2.0 del x1136 x1137 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1137 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 1, 7), (6, 7, 5, 0, 4, 2)) + x1137 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 3, 1, 7), (6, 7, 5, 0, 4, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1137, (4, 5, 6, 0, 7, 1), (7, 6, 4, 3, 2, 5)) * 2.0 x1138 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) - x1138 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 0, 4, 5, 6, 3), (4, 6, 1, 5)) + x1138 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 0, 4, 5, 6, 3), (4, 6, 1, 5)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1138, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -2.0 del x1138 x1139 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1139 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoV, (4, 2, 1, 5), (3, 5, 0, 4)) * -1.0 - t3new_babbab += einsum(x1139, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 + t3new_babbab += einsum(x1139, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 del x1139 x1140 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1140 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 6, 1, 3), (5, 4, 0, 6)) + x1140 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 6, 1, 3), (5, 4, 0, 6)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1140, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -2.0 del x1140 x1141 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1141 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoV, (0, 2, 4, 5), (3, 5, 1, 4)) * -1.0 - t3new_babbab += einsum(x1141, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 + t3new_babbab += einsum(x1141, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 x1142 = np.zeros((navir[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) x1142 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoV, (0, 4, 1, 5), (3, 5, 2, 4)) * -1.0 - t3new_babbab += einsum(x1142, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -2.0 + t3new_babbab += einsum(x1142, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -2.0 del x1142 x1143 = np.zeros((navir[1], navir[1]), dtype=np.float64) x1143 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoV, (0, 2, 1, 4), (3, 4)) * -1.0 - t3new_babbab += einsum(x1143, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 - t3new_bbbbbb += einsum(x1143, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + t3new_babbab += einsum(x1143, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + t3new_bbbbbb += einsum(x1143, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 del x1143 x1144 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1144 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 3, 2, 5, 6), (6, 4, 5, 1)) + x1144 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 3, 2, 5, 6), (6, 4, 5, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1144, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -2.0 del x1144 x1145 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=np.float64) x1145 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvO, (4, 2, 3, 5), (1, 5, 0, 4)) * -1.0 - t3new_babbab += einsum(x1145, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * -2.0 + t3new_babbab += einsum(x1145, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * -2.0 del x1145 x1146 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1146 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) + x1146 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1146, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -2.0 x1147 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1147 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 3, 2, 1, 6), (6, 5, 0, 4)) + x1147 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 3, 2, 1, 6), (6, 5, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1147, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -2.0 del x1147 x1148 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=np.float64) x1148 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvO, (0, 2, 4, 5), (1, 5, 3, 4)) * -1.0 - t3new_babbab += einsum(x1148, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -2.0 + t3new_babbab += einsum(x1148, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -2.0 x1149 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x1149 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvO, (0, 2, 3, 4), (1, 4)) * -1.0 - t3new_babbab += einsum(x1149, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 - t3new_bbbbbb += einsum(x1149, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 + t3new_babbab += einsum(x1149, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 + t3new_bbbbbb += einsum(x1149, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 del x1149 x1150 = np.zeros((naocc[1], naocc[1], nvir[0], nvir[0]), dtype=np.float64) x1150 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvO, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 - t3new_babbab += einsum(x1150, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 + t3new_babbab += einsum(x1150, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 del x1150 x1151 = np.zeros((naocc[1], naocc[1], navir[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1151 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) - t3new_babbab += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1151, (6, 2, 7, 5, 8, 1), (0, 8, 6, 3, 4, 7)) * -2.0 + t3new_babbab += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x1151, (6, 2, 7, 5, 8, 1), (0, 8, 6, 3, 4, 7)) * -2.0 del x1151 x1152 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1152 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) - t3new_babbab += einsum(x1152, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 - t3new_bbbbbb += einsum(x1152, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 + t3new_babbab += einsum(x1152, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 + t3new_bbbbbb += einsum(x1152, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 del x1152 x1153 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1153 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (0, 2, 4, 5, 3, 6), (4, 6, 5, 1)) + x1153 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (0, 2, 4, 5, 3, 6), (4, 6, 5, 1)) x1154 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1154 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1153, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) t3new_babbab += einsum(x1154, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 t3new_babbab += einsum(x1154, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 del x1154 x1155 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1155 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 3, 1, 6), (5, 6, 4, 0)) * -1.0 + x1155 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 3, 1, 6), (5, 6, 4, 0)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1155, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -6.0 x1156 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1156 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) + x1156 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1156, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 6.0 t3new_bbbbbb += einsum(x1156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 t3new_bbbbbb += einsum(x1156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 x1157 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1157 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) + x1157 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1157, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -6.0 x1158 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1158 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 1, 3), (5, 4, 0, 6)) + x1158 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 1, 3), (5, 4, 0, 6)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1158, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 6.0 x1159 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1159 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 0, 3, 5, 2, 6), (6, 4, 5, 1)) + x1159 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 0, 3, 5, 2, 6), (6, 4, 5, 1)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1159, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 3.0 x1160 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1160 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) + x1160 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1160, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -3.0 x1161 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1161 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 6, 2), (4, 1, 5, 3, 0, 6)) - t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1161, (2, 6, 5, 7, 8, 1), (8, 0, 6, 4, 3, 7)) * -4.0 + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x1161, (2, 6, 5, 7, 8, 1), (8, 0, 6, 4, 3, 7)) * -4.0 del x1161 x1162 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1162 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 0, 2), (4, 1, 5, 3)) - t3new_babbab += einsum(x1162, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * 4.0 + t3new_babbab += einsum(x1162, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * 4.0 del x1162 x1163 = np.zeros((naocc[0], naocc[1], navir[0], nocc[1], nocc[1], nvir[1]), dtype=np.float64) x1163 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 6, 3), (4, 1, 5, 0, 6, 2)) * -1.0 - t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (0, 1, 2, 3, 4, 5), x1163, (2, 6, 5, 7, 1, 8), (7, 0, 6, 8, 3, 4)) * 4.0 + t3new_babbab += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (0, 1, 2, 3, 4, 5), x1163, (2, 6, 5, 7, 1, 8), (7, 0, 6, 8, 3, 4)) * 4.0 del x1163 x1164 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) x1164 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 0, 3), (4, 1, 5, 2)) * -1.0 - t3new_babbab += einsum(x1164, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * -4.0 + t3new_babbab += einsum(x1164, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * -4.0 del x1164 x1165 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1165 += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 3, 1), (5, 4, 2, 6)) * -1.0 + x1165 += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 3, 1), (5, 4, 2, 6)) * -1.0 t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1165, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 4.0 del x1165 x1166 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) x1166 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 1, 2), (4, 5, 3, 0)) * -1.0 - t3new_babbab += einsum(x1166, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -4.0 + t3new_babbab += einsum(x1166, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -4.0 del x1166 x1167 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x1167 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 1, 3), (4, 5, 0, 2)) - t3new_babbab += einsum(x1167, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 4.0 + t3new_babbab += einsum(x1167, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 4.0 del x1167 x1168 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1168 += einsum(x18, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 2, 3, 4, 5, 6), (3, 6, 2, 0, 5, 4)) * -1.0 + x1168 += einsum(x18, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (3, 6, 2, 0, 5, 4)) * -1.0 t3new_babbab += einsum(x1168, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_babbab += einsum(x1168, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1168 x1169 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1169 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) + x1169 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1169, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * -4.0 del x1169 x1170 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1170 += einsum(x37, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 5, 4)) * -1.0 + x1170 += einsum(x37, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 5, 4)) * -1.0 t3new_babbab += einsum(x1170, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_babbab += einsum(x1170, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1170 x1171 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1171 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 1, 7), (5, 7, 0, 4, 3, 6)) + x1171 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 1, 7), (5, 7, 0, 4, 3, 6)) t3new_babbab += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1171, (4, 5, 1, 6, 3, 7), (6, 0, 4, 7, 2, 5)) * -4.0 x1172 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1172 += einsum(x183, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 5, 0)) * -1.0 + x1172 += einsum(x183, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 5, 0)) * -1.0 t3new_babbab += einsum(x1172, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_babbab += einsum(x1172, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1172 x1173 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1173 += einsum(x111, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 2, 0, 5)) * -1.0 + x1173 += einsum(x111, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 2, 0, 5)) * -1.0 t3new_babbab += einsum(x1173, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 t3new_babbab += einsum(x1173, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 del x1173 x1174 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1174 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 1, 6, 3), (5, 4, 0, 6)) + x1174 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 1, 6, 3), (5, 4, 0, 6)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1174, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 4.0 del x1174 x1175 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1175 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (1, 2, 4, 5), (3, 5, 0, 4)) * -1.0 - t3new_babbab += einsum(x1175, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 4.0 + t3new_babbab += einsum(x1175, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 4.0 x1176 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1176 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (4, 2, 1, 5), (3, 5, 0, 4)) * -1.0 - t3new_babbab += einsum(x1176, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -4.0 + t3new_babbab += einsum(x1176, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -4.0 x1177 = np.zeros((navir[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) x1177 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (1, 4, 0, 5), (3, 5, 2, 4)) * -1.0 - t3new_babbab += einsum(x1177, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 + t3new_babbab += einsum(x1177, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 x1178 = np.zeros((navir[1], navir[1]), dtype=np.float64) x1178 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (1, 2, 0, 4), (3, 4)) * -1.0 - t3new_babbab += einsum(x1178, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 - t3new_bbbbbb += einsum(x1178, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + t3new_babbab += einsum(x1178, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + t3new_bbbbbb += einsum(x1178, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 del x1178 x1179 = np.zeros((navir[1], navir[1]), dtype=np.float64) x1179 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (1, 2, 0, 4), (3, 4)) * -1.0 - t3new_babbab += einsum(x1179, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 - t3new_bbbbbb += einsum(x1179, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + t3new_babbab += einsum(x1179, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + t3new_bbbbbb += einsum(x1179, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 del x1179 x1180 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1180 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 4, 3, 2, 5, 6), (6, 4, 5, 1)) + x1180 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 4, 3, 2, 5, 6), (6, 4, 5, 1)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1180, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 2.0 del x1180 x1181 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=np.float64) x1181 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvO, (4, 3, 2, 5), (1, 5, 0, 4)) * -1.0 x1182 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1182 += einsum(x1181, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 1, 5, 6, 7), (0, 7, 4, 2, 6, 5)) + x1182 += einsum(x1181, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 1, 5, 6, 7), (0, 7, 4, 2, 6, 5)) t3new_babbab += einsum(x1182, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) t3new_babbab += einsum(x1182, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) del x1182 x1183 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1183 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 4, 3, 1, 5, 6), (6, 4, 5, 2)) + x1183 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 4, 3, 1, 5, 6), (6, 4, 5, 2)) t3new_babbab += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1183, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 del x1183 x1184 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=np.float64) x1184 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvO, (0, 3, 4, 5), (1, 5, 2, 4)) * -1.0 - t3new_babbab += einsum(x1184, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 4.0 + t3new_babbab += einsum(x1184, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 4.0 x1185 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x1185 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvO, (0, 3, 2, 4), (1, 4)) * -1.0 x1186 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1186 += einsum(x1185, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (0, 6, 3, 2, 5, 4)) + x1186 += einsum(x1185, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (0, 6, 3, 2, 5, 4)) t3new_babbab += einsum(x1186, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 t3new_babbab += einsum(x1186, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1186 x1187 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=np.float64) x1187 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvO, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 - t3new_babbab += einsum(x1187, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -4.0 + t3new_babbab += einsum(x1187, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -4.0 x1188 = np.zeros((naocc[1], naocc[1], navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1188 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) - t3new_babbab += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1188, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * -2.0 + t3new_babbab += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x1188, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * -2.0 x1189 = np.zeros((naocc[1], naocc[1], navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1189 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 2, 6), (1, 6, 3, 5, 0, 4)) - t3new_babbab += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1189, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * 2.0 + t3new_babbab += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x1189, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * 2.0 x1190 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1190 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) - t3new_babbab += einsum(x1190, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 4.0 - t3new_bbbbbb += einsum(x1190, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 12.0 + t3new_babbab += einsum(x1190, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 4.0 + t3new_bbbbbb += einsum(x1190, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 12.0 del x1190 x1191 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1191 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.oVvO, (0, 4, 2, 5), (1, 5, 3, 4)) - t3new_babbab += einsum(x1191, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -4.0 - t3new_bbbbbb += einsum(x1191, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -12.0 + t3new_babbab += einsum(x1191, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -4.0 + t3new_bbbbbb += einsum(x1191, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -12.0 del x1191 x1192 = np.zeros((naocc[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) x1192 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoO, (2, 1, 3, 4), (4, 0, 2, 3)) @@ -5721,7 +5716,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x1206 x1207 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1207 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.ovoO, (2, 3, 0, 4), (4, 1, 2, 3)) - t3new_bbbbbb += einsum(x1207, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 + t3new_bbbbbb += einsum(x1207, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 x1208 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1208 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1207, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1208, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) @@ -5743,7 +5738,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x1212 x1213 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1213 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ovvV, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_bbbbbb += einsum(x1213, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 + t3new_bbbbbb += einsum(x1213, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 x1214 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1214 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1213, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1214, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 @@ -5948,31 +5943,31 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1274, (4, 5, 2, 6), (1, 0, 4, 3, 6, 5)) * -1.0 del x1274 x1275 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1275 += einsum(x35, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 2, 4, 6)) + x1275 += einsum(x35, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 2, 4, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1275, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x1275 x1276 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1276 += einsum(x35, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) + x1276 += einsum(x35, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1276, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1276 x1277 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1277 += einsum(x11, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 0, 2, 5)) + x1277 += einsum(x11, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 0, 2, 5)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1277, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x1277 x1278 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1278 += einsum(x12, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 0, 2, 5)) + x1278 += einsum(x12, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 0, 2, 5)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1278, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1278 x1279 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1279 += einsum(x33, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) + x1279 += einsum(x33, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1279, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -6.0 del x1279 x1280 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1280 += einsum(x33, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) + x1280 += einsum(x33, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1280, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1280 x1281 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1281 += einsum(x13, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) + x1281 += einsum(x13, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1281, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1281 x1282 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) @@ -5981,21 +5976,21 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1282, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1282 x1283 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1283 += einsum(x15, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 0, 2, 5)) + x1283 += einsum(x15, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 0, 2, 5)) t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1283, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 del x1283 x1284 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1284 += einsum(x0, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 0, 5)) + x1284 += einsum(x0, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 0, 5)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1284, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1284 x1285 = np.zeros((navir[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1285 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) x1286 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1286 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1285, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab += einsum(x1286, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 + t3new_babbab += einsum(x1286, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 del x1286 x1287 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1287 += einsum(x1285, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 7, 3, 1), (6, 0, 5, 2, 4, 7)) + x1287 += einsum(x1285, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 7, 3, 1), (6, 0, 5, 2, 4, 7)) del x1285 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1287, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1287 @@ -6004,17 +5999,17 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x1289 = np.zeros((navir[1], navir[1]), dtype=np.float64) x1289 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1288, (2, 0), (1, 2)) del x1288 - t3new_babbab += einsum(x1289, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 - t3new_bbbbbb += einsum(x1289, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + t3new_babbab += einsum(x1289, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + t3new_bbbbbb += einsum(x1289, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 del x1289 x1290 = np.zeros((naocc[1], naocc[1], nocc[0], nvir[0]), dtype=np.float64) x1290 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) x1291 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=np.float64) x1291 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1290, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab += einsum(x1291, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 + t3new_babbab += einsum(x1291, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 del x1291 x1292 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1292 += einsum(x1290, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 5, 2, 4, 6)) + x1292 += einsum(x1290, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 3, 7), (0, 7, 5, 2, 4, 6)) del x1290 t3new_babbab += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1292, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 del x1292 @@ -6023,46 +6018,46 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x1294 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x1294 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), x1293, (2, 1), (0, 2)) del x1293 - t3new_babbab += einsum(x1294, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - t3new_bbbbbb += einsum(x1294, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_babbab += einsum(x1294, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new_bbbbbb += einsum(x1294, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 del x1294 x1295 = np.zeros((naocc[0], naocc[1], navir[0], nocc[1]), dtype=np.float64) x1295 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.OVov, (2, 3, 4, 1), (2, 0, 3, 4)) x1296 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1296 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1295, (2, 3, 4, 0), (2, 3, 4, 1)) - t3new_babbab += einsum(x1296, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * -2.0 + t3new_babbab += einsum(x1296, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * -2.0 del x1296 x1297 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) x1297 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1295, (2, 3, 4, 0), (2, 3, 4, 1)) del x1295 - t3new_babbab += einsum(x1297, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * 2.0 + t3new_babbab += einsum(x1297, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * 2.0 del x1297 x1298 = np.zeros((naocc[0], navir[0], navir[1], nvir[1]), dtype=np.float64) x1298 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.OVov, (2, 3, 0, 4), (2, 3, 1, 4)) x1299 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) x1299 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1298, (2, 3, 4, 1), (2, 3, 4, 0)) del x1298 - t3new_babbab += einsum(x1299, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,svb,sVa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * 2.0 + t3new_babbab += einsum(x1299, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * 2.0 del x1299 x1300 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x1300 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x169, (2, 3, 4, 0), (2, 3, 4, 1)) del x169 - t3new_babbab += einsum(x1300, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOa,sva,sVb,sVa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 + t3new_babbab += einsum(x1300, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 del x1300 x1301 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1301 += einsum(x16, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (1, 4, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) + x1301 += einsum(x16, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1301, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1301 x1302 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1302 += einsum(x16, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) + x1302 += einsum(x16, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1302, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1302 x1303 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1303 += einsum(x1, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 0, 5)) + x1303 += einsum(x1, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 0, 5)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1303, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1303 x1304 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1304 += einsum(x20, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 0, 5)) + x1304 += einsum(x20, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 0, 5)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1304, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1304 x1305 = np.zeros((navir[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) @@ -6070,17 +6065,17 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x1306 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1306 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1305, (2, 3, 4, 1), (2, 3, 0, 4)) del x1305 - t3new_babbab += einsum(x1306, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 + t3new_babbab += einsum(x1306, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 x1307 = np.zeros((navir[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) x1307 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) x1308 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1308 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1307, (2, 3, 4, 1), (2, 3, 0, 4)) del x1307 - t3new_babbab += einsum(x1308, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 + t3new_babbab += einsum(x1308, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 x1309 = np.zeros((navir[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) x1309 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) x1310 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1310 += einsum(x1309, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 6, 3, 7, 1), (6, 0, 5, 4, 2, 7)) + x1310 += einsum(x1309, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 3, 7, 1), (6, 0, 5, 4, 2, 7)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1310, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1310 x1311 = np.zeros((navir[1], nocc[1]), dtype=np.float64) @@ -6088,33 +6083,33 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x1312 = np.zeros((navir[1], navir[1]), dtype=np.float64) x1312 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1311, (2, 0), (1, 2)) del x1311 - t3new_babbab += einsum(x1312, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 - t3new_bbbbbb += einsum(x1312, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 + t3new_babbab += einsum(x1312, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 + t3new_bbbbbb += einsum(x1312, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 del x1312 x1313 = np.zeros((navir[1], nocc[1]), dtype=np.float64) x1313 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovoV, (2, 1, 0, 3), (3, 2)) x1314 = np.zeros((navir[1], navir[1]), dtype=np.float64) x1314 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1313, (2, 0), (1, 2)) del x1313 - t3new_babbab += einsum(x1314, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 - t3new_bbbbbb += einsum(x1314, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 + t3new_babbab += einsum(x1314, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 + t3new_bbbbbb += einsum(x1314, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 del x1314 x1315 = np.zeros((naocc[1], naocc[1], nocc[1], nvir[1]), dtype=np.float64) x1315 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) x1316 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=np.float64) x1316 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1315, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab += einsum(x1316, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) + t3new_babbab += einsum(x1316, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) x1317 = np.zeros((naocc[1], naocc[1], nocc[1], nvir[1]), dtype=np.float64) x1317 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvO, (2, 1, 3, 4), (0, 4, 2, 3)) x1318 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=np.float64) x1318 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1317, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab += einsum(x1318, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -1.0 + t3new_babbab += einsum(x1318, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -1.0 x1319 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1319 += einsum(x1317, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (0, 7, 5, 4, 2, 6)) + x1319 += einsum(x1317, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 3, 6, 7), (0, 7, 5, 4, 2, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1319, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 del x1319 x1320 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1320 += einsum(x1315, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 3, 6, 7), (0, 7, 5, 4, 2, 6)) + x1320 += einsum(x1315, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 3, 6, 7), (0, 7, 5, 4, 2, 6)) t3new_babbab += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1320, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 del x1320 x1321 = np.zeros((naocc[1], nvir[1]), dtype=np.float64) @@ -6122,43 +6117,43 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x1322 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x1322 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), x1321, (2, 1), (0, 2)) del x1321 - t3new_babbab += einsum(x1322, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - t3new_bbbbbb += einsum(x1322, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 + t3new_babbab += einsum(x1322, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 + t3new_bbbbbb += einsum(x1322, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 del x1322 x1323 = np.zeros((naocc[1], nvir[1]), dtype=np.float64) x1323 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvO, (0, 2, 1, 3), (3, 2)) x1324 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) x1324 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), x1323, (2, 1), (0, 2)) del x1323 - t3new_babbab += einsum(x1324, (0, 1), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 - t3new_bbbbbb += einsum(x1324, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 + t3new_babbab += einsum(x1324, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 + t3new_bbbbbb += einsum(x1324, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 del x1324 x1325 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1]), dtype=np.float64) x1325 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovOV, (2, 1, 3, 4), (0, 3, 4, 2)) x1326 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1326 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1325, (2, 3, 4, 0), (2, 3, 1, 4)) del x1325 - t3new_babbab += einsum(x1326, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 - t3new_bbbbbb += einsum(x1326, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 + t3new_babbab += einsum(x1326, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 + t3new_bbbbbb += einsum(x1326, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 del x1326 x1327 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1]), dtype=np.float64) x1327 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.oVvO, (2, 3, 1, 4), (0, 4, 3, 2)) x1328 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) x1328 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1327, (2, 3, 4, 0), (2, 3, 1, 4)) del x1327 - t3new_babbab += einsum(x1328, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 - t3new_bbbbbb += einsum(x1328, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 + t3new_babbab += einsum(x1328, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 + t3new_bbbbbb += einsum(x1328, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 del x1328 x1329 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1329 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 2), (1, 3, 4, 5)) - t3new_bbbbbb += einsum(x1329, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 + t3new_bbbbbb += einsum(x1329, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 x1330 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1330 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1329, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1330, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 del x1330 x1331 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1331 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 0, 5), (1, 3, 4, 5)) - t3new_bbbbbb += einsum(x1331, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 + t3new_bbbbbb += einsum(x1331, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 x1332 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1332 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1331, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1332, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) @@ -6253,7 +6248,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1356, (4, 5, 6, 0, 7, 1), (7, 6, 4, 3, 2, 5)) * 2.0 x1357 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1357 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 0, 2), (1, 3, 4, 5)) - t3new_bbbbbb += einsum(x1357, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 4.0 + t3new_bbbbbb += einsum(x1357, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 4.0 x1358 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1358 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1357, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1358, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -2.0 @@ -6489,7 +6484,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x1424 += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1424, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 x1425 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1425 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x16, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 + x1425 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x16, (4, 1, 0, 5), (3, 4, 2, 5)) x1426 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1426 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1425, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) t3new_babbab += einsum(x1426, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) @@ -6557,7 +6552,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x1444 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 5, 1, 2), (4, 3, 0, 5)) * -1.0 t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1444, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 x1445 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1445 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 1, 0, 5), (4, 3, 2, 5)) + x1445 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 0, 1, 5), (4, 3, 2, 5)) * -1.0 x1446 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1446 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1445, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) * -1.0 t3new_babbab += einsum(x1446, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) @@ -6637,7 +6632,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x1465 x1466 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1466 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.aabb.ovov, (4, 5, 0, 3), (2, 1, 4, 5)) - t3new_bbbbbb += einsum(x1466, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 + t3new_bbbbbb += einsum(x1466, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 x1467 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1467 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1466, (2, 3, 4, 1), (2, 3, 0, 4)) t3new_babbab += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1467, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) @@ -6691,16 +6686,16 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_abaaba += einsum(x1482, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1482, (4, 5, 1, 6, 3, 7), (0, 6, 4, 2, 7, 5)) * 2.0 x1483 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1483 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 4, 1, 6)) + x1483 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 4, 1, 6)) t3new_abaaba += einsum(x1483, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1483, (4, 5, 1, 6, 3, 7), (0, 6, 4, 2, 7, 5)) * 4.0 del x1483 x1484 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1484 += einsum(f.aa.ov, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (4, 6, 0, 2, 3, 5)) + x1484 += einsum(f.aa.ov, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (4, 6, 0, 2, 3, 5)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1484, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1484 x1485 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1485 += einsum(f.bb.ov, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 0, 3, 5)) + x1485 += einsum(f.bb.ov, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 0, 3, 5)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1485, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1485 x1486 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) @@ -6843,115 +6838,115 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1520, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1520 x1521 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1521 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 1, 4, 6)) + x1521 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 1, 4, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1521, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1521 x1522 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1522 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 3, 6, 7), (5, 7, 0, 2, 4, 6)) + x1522 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 3, 6, 7), (5, 7, 0, 2, 4, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1522, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1522 x1523 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1523 += einsum(v.aaaa.ovOO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 3, 1, 6, 7), (2, 7, 4, 0, 5, 6)) + x1523 += einsum(v.aaaa.ovOO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 3, 1, 6, 7), (2, 7, 4, 0, 5, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1523, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1523 x1524 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1524 += einsum(v.aaaa.oOvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 3, 2, 6, 7), (1, 7, 4, 0, 5, 6)) + x1524 += einsum(v.aaaa.oOvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 3, 2, 6, 7), (1, 7, 4, 0, 5, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1524, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1524 x1525 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1525 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 1, 6, 7), (5, 7, 4, 0, 2, 6)) + x1525 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 5, 1, 6, 7), (5, 7, 4, 0, 2, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1525, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1525 x1526 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1526 += einsum(v.aabb.ovvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 0, 5, 2)) + x1526 += einsum(v.aabb.ovvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 0, 5, 2)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1526, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1526 x1527 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1527 += einsum(v.aaaa.ovVV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 1, 7, 3), (6, 2, 4, 0, 5, 7)) + x1527 += einsum(v.aaaa.ovVV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 1, 7, 3), (6, 2, 4, 0, 5, 7)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1527, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1527 x1528 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1528 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oVoo, (0, 2, 3, 4), (1, 2, 3, 4)) - t3new_abaaba += einsum(x1528, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 + t3new_abaaba += einsum(x1528, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 del x1528 x1529 = np.zeros((navir[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) x1529 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oVvv, (0, 2, 3, 4), (1, 2, 3, 4)) - t3new_abaaba += einsum(x1529, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -2.0 + t3new_abaaba += einsum(x1529, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -2.0 del x1529 x1530 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=np.float64) x1530 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vOoo, (1, 2, 3, 4), (0, 2, 3, 4)) - t3new_abaaba += einsum(x1530, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(x1530, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 del x1530 x1531 = np.zeros((naocc[0], naocc[0], nvir[1], nvir[1]), dtype=np.float64) x1531 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vOvv, (1, 2, 3, 4), (0, 2, 3, 4)) - t3new_abaaba += einsum(x1531, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 + t3new_abaaba += einsum(x1531, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 del x1531 x1532 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1532 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oOOV, (0, 2, 3, 4), (2, 3, 1, 4)) - t3new_abaaba += einsum(x1532, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * -2.0 + t3new_abaaba += einsum(x1532, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * -2.0 del x1532 x1533 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1533 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vVOV, (1, 2, 3, 4), (0, 3, 2, 4)) - t3new_abaaba += einsum(x1533, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * 2.0 + t3new_abaaba += einsum(x1533, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * 2.0 del x1533 x1534 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) x1534 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.oOOV, (0, 2, 3, 4), (2, 3, 4, 1)) - t3new_abaaba += einsum(x1534, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * 2.0 + t3new_abaaba += einsum(x1534, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * 2.0 del x1534 x1535 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) x1535 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vvOV, (2, 1, 3, 4), (0, 3, 4, 2)) - t3new_abaaba += einsum(x1535, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -2.0 + t3new_abaaba += einsum(x1535, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -2.0 del x1535 x1536 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) x1536 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ooOV, (2, 0, 3, 4), (3, 1, 4, 2)) - t3new_abaaba += einsum(x1536, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * 2.0 + t3new_abaaba += einsum(x1536, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * 2.0 del x1536 x1537 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) x1537 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vVOV, (1, 2, 3, 4), (3, 2, 4, 0)) - t3new_abaaba += einsum(x1537, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -2.0 + t3new_abaaba += einsum(x1537, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -2.0 del x1537 x1538 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1538 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ooOV, (2, 0, 3, 4), (3, 4, 2, 1)) - t3new_abaaba += einsum(x1538, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 + t3new_abaaba += einsum(x1538, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 del x1538 x1539 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1539 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vvOV, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new_abaaba += einsum(x1539, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 + t3new_abaaba += einsum(x1539, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 del x1539 x1540 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1540 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) + x1540 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1540, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1540 x1541 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1541 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) + x1541 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1541, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1541 x1542 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1542 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) + x1542 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1542, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1542 x1543 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=np.float64) x1543 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OOov, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba += einsum(x1543, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(x1543, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 del x1543 x1544 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1544 += einsum(v.aabb.OOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + x1544 += einsum(v.aabb.OOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1544, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1544 x1545 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1545 += einsum(v.aabb.vvov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 2, 0)) + x1545 += einsum(v.aabb.vvov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 2, 0)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1545, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1545 x1546 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1546 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.VVov, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba += einsum(x1546, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 + t3new_abaaba += einsum(x1546, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 del x1546 x1547 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1547 += einsum(v.aabb.VVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + x1547 += einsum(v.aabb.VVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1547, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1547 x1548 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1548 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 3, 6)) + x1548 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 3, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1548, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -6.0 del x1548 x1549 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) @@ -7011,11 +7006,11 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x1562 x1563 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1563 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 3, 5, 6), (0, 2, 1, 4, 5, 6)) - t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1563, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1563, (4, 5, 6, 1, 3, 7), (0, 6, 4, 2, 7, 5)) * -1.0 del x1563 x1564 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) x1564 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 6, 3), (0, 2, 1, 6, 4, 5)) - t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1564, (4, 5, 6, 1, 2, 7), (0, 6, 4, 7, 3, 5)) * -1.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1564, (4, 5, 6, 1, 7, 2), (0, 6, 4, 7, 3, 5)) * -1.0 x1565 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1565 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x490, (4, 5, 6, 2), (4, 5, 0, 1, 6, 3)) del x490 @@ -7057,7 +7052,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) del x1573 x1574 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) x1574 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1574, (4, 5, 6, 0, 7, 3), (6, 1, 4, 2, 7, 5)) * -2.0 + t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1574, (4, 5, 6, 0, 3, 7), (6, 1, 4, 2, 7, 5)) * -2.0 x1575 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1575 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1575, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) @@ -7159,43 +7154,43 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1598, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 4.0 del x1598 x1599 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) - x1599 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 2, 4, 1, 5, 6), (4, 6, 5, 3)) + x1599 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 2, 4, 1, 5, 6), (4, 6, 5, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1599, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) * -2.0 del x1599 x1600 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1600 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 5, 1, 3, 6), (5, 6, 4, 2)) + x1600 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 4, 5, 1, 3, 6), (5, 6, 4, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1600, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -2.0 del x1600 x1601 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1601 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 5, 6, 3, 7), (5, 7, 4, 2, 6, 1)) + x1601 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 4, 5, 6, 3, 7), (5, 7, 4, 2, 6, 1)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1601, (4, 5, 6, 1, 7, 2), (0, 6, 4, 7, 3, 5)) * 2.0 del x1601 x1602 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1602 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 5, 1, 6, 7), (5, 7, 4, 2, 6, 3)) + x1602 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 4, 5, 1, 6, 7), (5, 7, 4, 2, 6, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1602, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * 2.0 del x1602 x1603 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1603 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) + x1603 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1603, (4, 5, 6, 0, 7, 3), (6, 1, 4, 2, 7, 5)) * 2.0 del x1603 x1604 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1604 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 0, 5, 2)) + x1604 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 0, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1604, (4, 5, 6, 0, 7, 1), (6, 7, 4, 2, 3, 5)) * 2.0 x1605 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1605 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 3, 6), (6, 5, 0, 1, 4, 2)) - t3new_abaaba += einsum(t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (0, 1, 2, 3, 4, 5), x1605, (2, 5, 6, 7, 0, 8), (6, 7, 1, 8, 3, 4)) + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (0, 1, 2, 3, 4, 5), x1605, (2, 5, 6, 7, 0, 8), (6, 7, 1, 8, 3, 4)) del x1605 x1606 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1606 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 2, 1, 6, 3), (5, 6, 4, 0)) + x1606 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (4, 5, 2, 1, 6, 3), (5, 6, 4, 0)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1606, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -2.0 del x1606 x1607 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1607 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (1, 3, 4, 5), (4, 5, 0, 2)) - t3new_abaaba += einsum(x1607, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 + t3new_abaaba += einsum(x1607, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 del x1607 x1608 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1608 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (1, 4, 3, 5), (5, 4, 0, 2)) - t3new_abaaba += einsum(x1608, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 + t3new_abaaba += einsum(x1608, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 del x1608 x1609 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) x1609 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x583, (4, 5, 6, 2), (4, 5, 0, 1, 6, 3)) @@ -7204,174 +7199,174 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_abaaba += einsum(x1609, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -3.0 del x1609 x1610 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) - x1610 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 2, 4, 5, 6, 1), (4, 5, 6, 3)) + x1610 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 2, 4, 5, 6, 1), (4, 5, 6, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1610, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -2.0 del x1610 x1611 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1611 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 5, 6, 3, 1), (5, 4, 2, 6)) + x1611 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 4, 5, 6, 3, 1), (5, 4, 2, 6)) t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1611, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -2.0 del x1611 x1612 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1612 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oVov, (0, 4, 5, 3), (2, 4, 1, 5)) - t3new_abaaba += einsum(x1612, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 + t3new_abaaba += einsum(x1612, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 del x1612 x1613 = np.zeros((navir[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) x1613 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oVov, (0, 4, 1, 5), (2, 4, 3, 5)) - t3new_abaaba += einsum(x1613, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * 2.0 + t3new_abaaba += einsum(x1613, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * 2.0 del x1613 x1614 = np.zeros((naocc[1], navir[0], navir[1], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1614 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (5, 2, 6, 0, 1, 4)) - t3new_abaaba += einsum(t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1614, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x1614, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) del x1614 x1615 = np.zeros((naocc[1], navir[0], navir[1], nocc[0], nocc[1], nocc[1]), dtype=np.float64) x1615 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 3, 6), (6, 2, 5, 0, 1, 4)) - t3new_abaaba += einsum(t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1615, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) * -1.0 + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x1615, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) * -1.0 del x1615 x1616 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1616 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) * -1.0 + x1616 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1616, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -2.0 del x1616 x1617 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) x1617 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (1, 3, 4, 5), (4, 2, 5, 0)) - t3new_abaaba += einsum(x1617, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -2.0 + t3new_abaaba += einsum(x1617, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -2.0 del x1617 x1618 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) x1618 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (1, 4, 3, 5), (5, 2, 4, 0)) - t3new_abaaba += einsum(x1618, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * 2.0 + t3new_abaaba += einsum(x1618, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * 2.0 del x1618 x1619 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=np.float64) x1619 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vOov, (2, 4, 5, 3), (0, 4, 1, 5)) - t3new_abaaba += einsum(x1619, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(x1619, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 del x1619 x1620 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1620 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 1, 0, 5, 6), (6, 4, 5, 3)) + x1620 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 1, 0, 5, 6), (6, 4, 5, 3)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1620, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -2.0 del x1620 x1621 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1621 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 0, 3, 6), (6, 4, 5, 2)) + x1621 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 0, 3, 6), (6, 4, 5, 2)) t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1621, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -2.0 del x1621 x1622 = np.zeros((naocc[0], naocc[0], nvir[1], nvir[1]), dtype=np.float64) x1622 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vOov, (2, 4, 1, 5), (0, 4, 3, 5)) - t3new_abaaba += einsum(x1622, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * 2.0 + t3new_abaaba += einsum(x1622, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * 2.0 del x1622 x1623 = np.zeros((naocc[0], naocc[1], navir[1], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1623 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (0, 5, 6, 1, 4, 2)) - t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (0, 1, 2, 3, 4, 5), x1623, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (0, 1, 2, 3, 4, 5), x1623, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) del x1623 x1624 = np.zeros((naocc[0], naocc[1], navir[1], nocc[1], nocc[1], nvir[0]), dtype=np.float64) x1624 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 3, 6), (0, 6, 5, 1, 4, 2)) - t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (0, 1, 2, 3, 4, 5), x1624, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * -1.0 + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (0, 1, 2, 3, 4, 5), x1624, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * -1.0 del x1624 x1625 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1625 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 2, 1, 6, 3), (6, 5, 4, 0)) * -1.0 + x1625 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (4, 5, 2, 1, 6, 3), (6, 5, 4, 0)) * -1.0 t3new_abaaba += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1625, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -2.0 del x1625 x1626 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) x1626 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (1, 3, 4, 5), (0, 4, 5, 2)) - t3new_abaaba += einsum(x1626, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -2.0 + t3new_abaaba += einsum(x1626, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -2.0 del x1626 x1627 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) x1627 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (1, 4, 3, 5), (0, 5, 4, 2)) - t3new_abaaba += einsum(x1627, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * 2.0 + t3new_abaaba += einsum(x1627, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * 2.0 del x1627 x1628 = np.zeros((naocc[0], naocc[0], navir[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1628 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 6, 3), (0, 4, 2, 5, 1, 6)) - t3new_abaaba += einsum(t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 1, 2, 3, 4, 5), x1628, (6, 2, 7, 5, 8, 1), (0, 8, 6, 3, 4, 7)) * -2.0 + t3new_abaaba += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x1628, (6, 2, 7, 5, 8, 1), (0, 8, 6, 3, 4, 7)) * -2.0 del x1628 x1629 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1629 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (0, 5, 2, 6, 1, 4)) - t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1629, (6, 2, 7, 5, 8, 0), (1, 8, 6, 4, 3, 7)) * -1.0 + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x1629, (6, 2, 7, 5, 8, 0), (1, 8, 6, 4, 3, 7)) * -1.0 del x1629 x1630 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[1], nocc[1]), dtype=np.float64) x1630 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 3, 6), (0, 6, 2, 5, 1, 4)) - t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1630, (6, 2, 7, 5, 8, 0), (1, 8, 6, 4, 3, 7)) + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x1630, (6, 2, 7, 5, 8, 0), (1, 8, 6, 4, 3, 7)) del x1630 x1631 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1631 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (1, 3, 4, 5), (0, 4, 2, 5)) - t3new_abaaba += einsum(x1631, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * 2.0 + t3new_abaaba += einsum(x1631, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * 2.0 del x1631 x1632 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1632 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (1, 4, 3, 5), (0, 5, 2, 4)) - t3new_abaaba += einsum(x1632, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * -2.0 + t3new_abaaba += einsum(x1632, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * -2.0 del x1632 x1633 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1633 += einsum(x37, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 2, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 + x1633 += einsum(x37, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 del x37 t3new_abaaba += einsum(x1633, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_abaaba += einsum(x1633, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x1633 x1634 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1634 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 1, 6, 7), (5, 7, 0, 4, 3, 6)) + x1634 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 4, 5, 1, 6, 7), (5, 7, 0, 4, 3, 6)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1634, (4, 5, 1, 6, 3, 7), (0, 6, 4, 2, 7, 5)) * -4.0 del x1634 x1635 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1635 += einsum(x18, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) * -1.0 + x1635 += einsum(x18, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) * -1.0 t3new_abaaba += einsum(x1635, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_abaaba += einsum(x1635, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x1635 x1636 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1636 += einsum(x111, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) * -1.0 + x1636 += einsum(x111, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) * -1.0 del x111 t3new_abaaba += einsum(x1636, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_abaaba += einsum(x1636, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x1636 x1637 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1637 += einsum(x183, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) * -1.0 + x1637 += einsum(x183, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) * -1.0 t3new_abaaba += einsum(x1637, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 t3new_abaaba += einsum(x1637, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 del x1637 x1638 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1638 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 1, 6, 3), (5, 0, 4, 6)) + x1638 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 4, 5, 1, 6, 3), (5, 0, 4, 6)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1638, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 4.0 del x1638 x1639 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1639 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 3, 2, 5, 6), (6, 4, 1, 5)) + x1639 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 4, 3, 2, 5, 6), (6, 4, 1, 5)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1639, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 del x1639 x1640 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1640 += einsum(x608, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (3, 4, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + x1640 += einsum(x608, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x608 t3new_abaaba += einsum(x1640, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) t3new_abaaba += einsum(x1640, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) del x1640 x1641 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1641 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (0, 4, 3, 1, 5, 6), (6, 4, 2, 5)) + x1641 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 4, 3, 1, 5, 6), (6, 4, 2, 5)) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1641, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 del x1641 x1642 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1642 += einsum(x615, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) + x1642 += einsum(x615, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) del x615 t3new_abaaba += einsum(x1642, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 t3new_abaaba += einsum(x1642, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x1642 x1643 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[0], nocc[0]), dtype=np.float64) x1643 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) - t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x1643, (6, 2, 7, 5, 8, 1), (8, 0, 6, 4, 3, 7)) * -4.0 + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x1643, (6, 2, 7, 5, 8, 1), (8, 0, 6, 4, 3, 7)) * -4.0 del x1643 x1644 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1644 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) - t3new_abaaba += einsum(x1644, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * 4.0 + t3new_abaaba += einsum(x1644, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * 4.0 del x1644 x1645 = np.zeros((naocc[0], naocc[1], navir[1], nocc[0], nocc[0], nvir[0]), dtype=np.float64) x1645 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovOV, (4, 3, 5, 6), (1, 5, 6, 0, 4, 2)) * -1.0 - t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (0, 1, 2, 3, 4, 5), x1645, (6, 2, 5, 7, 1, 8), (7, 0, 6, 8, 3, 4)) * 4.0 + t3new_abaaba += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (0, 1, 2, 3, 4, 5), x1645, (6, 2, 5, 7, 1, 8), (7, 0, 6, 8, 3, 4)) * 4.0 del x1645 x1646 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) x1646 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovOV, (0, 3, 4, 5), (1, 4, 5, 2)) * -1.0 - t3new_abaaba += einsum(x1646, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -4.0 + t3new_abaaba += einsum(x1646, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -4.0 del x1646 x1647 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1647 += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 2, 6, 1, 3), (5, 0, 4, 6)) * -1.0 + x1647 += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 2, 6, 1, 3), (5, 0, 4, 6)) * -1.0 t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1647, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 4.0 del x1647 x1648 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) x1648 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovOV, (1, 2, 4, 5), (4, 3, 5, 0)) * -1.0 - t3new_abaaba += einsum(x1648, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -4.0 + t3new_abaaba += einsum(x1648, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -4.0 del x1648 x1649 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1649 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aabb.ovOV, (1, 3, 4, 5), (4, 5, 0, 2)) - t3new_abaaba += einsum(x1649, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 4.0 + t3new_abaaba += einsum(x1649, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 4.0 del x1649 x1650 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) x1650 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x656, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) @@ -7584,34 +7579,34 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1698, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1698 x1699 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1699 += einsum(x35, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 3, 6, 7), (5, 7, 0, 2, 4, 6)) + x1699 += einsum(x35, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 3, 6, 7), (5, 7, 0, 2, 4, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1699, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1699 x1700 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1700 += einsum(x35, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 1, 4, 6)) + x1700 += einsum(x35, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 1, 4, 6)) del x35 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1700, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1700 x1701 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1701 += einsum(x11, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 0, 3, 5)) + x1701 += einsum(x11, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 0, 3, 5)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1701, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1701 x1702 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1702 += einsum(x12, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 0, 3, 5)) + x1702 += einsum(x12, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 0, 3, 5)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1702, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1702 x1703 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1703 += einsum(x738, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 3, 7, 1), (6, 0, 4, 2, 5, 7)) + x1703 += einsum(x738, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 3, 7, 1), (6, 0, 4, 2, 5, 7)) del x738 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1703, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1703 x1704 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1704 += einsum(x748, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 2, 5, 6)) + x1704 += einsum(x748, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 2, 5, 6)) del x748 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1704, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1704 x1705 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1705 += einsum(x745, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 2, 5, 6)) + x1705 += einsum(x745, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 2, 5, 6)) del x745 t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1705, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1705 @@ -7619,31 +7614,31 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x1706 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.ovOV, (2, 1, 3, 4), (0, 3, 4, 2)) x1707 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) x1707 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x1706, (2, 3, 4, 0), (2, 3, 1, 4)) - t3new_abaaba += einsum(x1707, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * -2.0 + t3new_abaaba += einsum(x1707, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * -2.0 del x1707 x1708 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) x1708 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1706, (2, 3, 4, 0), (2, 3, 4, 1)) del x1706 - t3new_abaaba += einsum(x1708, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sVa,sVb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * 2.0 + t3new_abaaba += einsum(x1708, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * 2.0 del x1708 x1709 = np.zeros((naocc[1], navir[0], navir[1], nvir[0]), dtype=np.float64) x1709 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ovOV, (0, 2, 3, 4), (3, 1, 4, 2)) x1710 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) x1710 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1709, (2, 3, 4, 1), (2, 3, 4, 0)) del x1709 - t3new_abaaba += einsum(x1710, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sva,sVb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * 2.0 + t3new_abaaba += einsum(x1710, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * 2.0 del x1710 x1711 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) x1711 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x166, (2, 3, 4, 0), (2, 3, 4, 1)) del x166 - t3new_abaaba += einsum(x1711, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOb,svb,sVa,sVb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 + t3new_abaaba += einsum(x1711, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 del x1711 x1712 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1712 += einsum(x33, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (1, 4, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) + x1712 += einsum(x33, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1712, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1712 x1713 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1713 += einsum(x13, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) + x1713 += einsum(x13, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1713, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1713 x1714 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) @@ -7652,21 +7647,21 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1714, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 del x1714 x1715 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1715 += einsum(x15, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 0, 3, 5)) + x1715 += einsum(x15, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 0, 3, 5)) t3new_abaaba += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1715, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 del x1715 x1716 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1716 += einsum(x0, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x1716 += einsum(x0, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1716, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1716 x1717 = np.zeros((navir[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) x1717 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oVov, (0, 2, 3, 4), (1, 2, 3, 4)) x1718 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) x1718 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1717, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba += einsum(x1718, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 + t3new_abaaba += einsum(x1718, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 del x1718 x1719 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1719 += einsum(x1717, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + x1719 += einsum(x1717, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) del x1717 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1719, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1719 @@ -7674,31 +7669,31 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x1720 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vOov, (1, 2, 3, 4), (0, 2, 3, 4)) x1721 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=np.float64) x1721 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1720, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba += einsum(x1721, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 + t3new_abaaba += einsum(x1721, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 del x1721 x1722 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1722 += einsum(x1720, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + x1722 += einsum(x1720, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x1720 t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1722, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1722 x1723 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1723 += einsum(x16, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) + x1723 += einsum(x16, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1723, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1723 x1724 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1724 += einsum(x16, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) + x1724 += einsum(x16, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1724, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1724 x1725 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1725 += einsum(x1, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x1725 += einsum(x1, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1725, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 del x1725 x1726 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1726 += einsum(x20, (0, 1), t3.abaaba[np.ix_(soa,sob,sOa,sva,svb,sVa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x1726 += einsum(x20, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1726, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 del x1726 x1727 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1727 += einsum(x13, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOa,sva,sva,sVa)], (4, 0, 5, 6, 3, 7), (5, 7, 4, 1, 2, 6)) + x1727 += einsum(x13, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 0, 5, 6, 3, 7), (5, 7, 4, 1, 2, 6)) t3new_abaaba += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1727, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -6.0 del x1727 x1728 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) @@ -8125,12 +8120,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_abaaba += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1824, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 del x1824 x1825 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1825 += einsum(f.bb.oo, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + x1825 += einsum(f.bb.oo, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) t3new_bbbbbb += einsum(x1825, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1825, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x1825 x1826 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1826 += einsum(f.bb.vv, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x1826 += einsum(f.bb.vv, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) t3new_bbbbbb += einsum(x1826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_bbbbbb += einsum(x1826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x1826 @@ -8200,60 +8195,60 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1837, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x1837 x1838 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1838 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (5, 7, 3, 4, 2, 6)) + x1838 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 1, 7), (5, 7, 3, 4, 2, 6)) t3new_bbbbbb += einsum(x1838, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 1, 2)) * 2.0 t3new_bbbbbb += einsum(x1838, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 1, 2)) * -2.0 del x1838 x1839 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1839 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (5, 3, 7, 4, 6, 2)) + x1839 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 1, 7), (5, 3, 7, 4, 6, 2)) t3new_bbbbbb += einsum(x1839, (0, 1, 2, 3, 4, 5), (3, 0, 1, 5, 4, 2)) * 2.0 t3new_bbbbbb += einsum(x1839, (0, 1, 2, 3, 4, 5), (3, 0, 1, 4, 5, 2)) * -2.0 del x1839 x1840 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1840 += einsum(v.bbbb.ooOO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 3, 5, 6, 7), (2, 7, 4, 0, 5, 6)) + x1840 += einsum(v.bbbb.ooOO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 3, 5, 6, 7), (2, 7, 4, 0, 5, 6)) t3new_bbbbbb += einsum(x1840, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1840, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x1840 x1841 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1841 += einsum(v.bbbb.oovv, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 6, 2)) + x1841 += einsum(v.bbbb.oovv, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 6, 2)) t3new_bbbbbb += einsum(x1841, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1841, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 t3new_bbbbbb += einsum(x1841, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1841, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 del x1841 x1842 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1842 += einsum(v.bbbb.ooVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 7, 3), (5, 2, 4, 0, 6, 7)) + x1842 += einsum(v.bbbb.ooVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 5, 6, 7, 3), (5, 2, 4, 0, 6, 7)) t3new_bbbbbb += einsum(x1842, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1842, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x1842 x1843 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1843 += einsum(v.bbbb.oVoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 7, 3), (5, 1, 4, 0, 6, 7)) + x1843 += einsum(v.bbbb.oVoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 7, 3), (5, 1, 4, 0, 6, 7)) t3new_bbbbbb += einsum(x1843, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1843, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x1843 x1844 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1844 += einsum(v.bbbb.vOvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 6, 0)) + x1844 += einsum(v.bbbb.vOvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 6, 0)) t3new_bbbbbb += einsum(x1844, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1844, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x1844 x1845 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1845 += einsum(v.bbbb.vvOO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 6, 0)) + x1845 += einsum(v.bbbb.vvOO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 6, 0)) t3new_bbbbbb += einsum(x1845, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1845, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 del x1845 x1846 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1846 += einsum(v.bbbb.vvVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 7, 0)) + x1846 += einsum(v.bbbb.vvVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 7, 0)) t3new_bbbbbb += einsum(x1846, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1846, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x1846 x1847 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1847 += einsum(x4, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 0, 3, 4, 5, 6), (3, 6, 1, 2, 4, 5)) + x1847 += einsum(x4, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 0, 3, 4, 5, 6), (3, 6, 1, 2, 4, 5)) del x4 t3new_bbbbbb += einsum(x1847, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1847, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x1847 x1848 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1848 += einsum(f.bb.ov, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) + x1848 += einsum(f.bb.ov, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) x1849 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1849 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1848, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) del x1848 @@ -8559,19 +8554,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1902, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 del x1902 x1903 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1903 += einsum(x6, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) + x1903 += einsum(x6, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) del x6 t3new_bbbbbb += einsum(x1903, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1903, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x1903 x1904 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1904 += einsum(x5, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) + x1904 += einsum(x5, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) del x5 t3new_bbbbbb += einsum(x1904, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1904, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x1904 x1905 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1905 += einsum(x140, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 2, 7), (5, 7, 1, 4, 6, 3)) + x1905 += einsum(x140, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 2, 7), (5, 7, 1, 4, 6, 3)) del x140 t3new_bbbbbb += einsum(x1905, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1905, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 @@ -8579,13 +8574,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1905, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 del x1905 x1906 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1906 += einsum(x1201, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 2, 4, 6)) + x1906 += einsum(x1201, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 2, 4, 6)) del x1201 t3new_bbbbbb += einsum(x1906, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 1, 2)) * 2.0 t3new_bbbbbb += einsum(x1906, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 1, 2)) * -2.0 del x1906 x1907 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1907 += einsum(v.aabb.ovoO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (5, 3, 7, 4, 2, 6)) + x1907 += einsum(v.aabb.ovoO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 1, 7), (5, 3, 7, 4, 2, 6)) x1908 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1908 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1907, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x1907 @@ -8593,7 +8588,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1908, (0, 1, 2, 3, 4, 5), (3, 0, 1, 5, 4, 2)) * 2.0 del x1908 x1909 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1909 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 3, 6)) + x1909 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 3, 6)) x1910 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1910 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1909, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x1909 @@ -8603,24 +8598,24 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1910, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x1910 x1911 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1911 += einsum(x1210, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 4, 2, 6)) + x1911 += einsum(x1210, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 4, 2, 6)) del x1210 t3new_bbbbbb += einsum(x1911, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -2.0 t3new_bbbbbb += einsum(x1911, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 2.0 del x1911 x1912 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1912 += einsum(x1215, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 6, 3)) + x1912 += einsum(x1215, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 6, 3)) del x1215 t3new_bbbbbb += einsum(x1912, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 t3new_bbbbbb += einsum(x1912, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 del x1912 x1913 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1913 += einsum(x234, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (3, 2, 4, 5, 6, 7), (4, 7, 0, 1, 5, 6)) * -1.0 + x1913 += einsum(x234, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (3, 2, 4, 5, 6, 7), (4, 7, 0, 1, 5, 6)) * -1.0 t3new_bbbbbb += einsum(x1913, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1913, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x1913 x1914 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1914 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) + x1914 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) x1915 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1915 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1914, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) del x1914 @@ -8630,7 +8625,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1915, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x1915 x1916 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1916 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) + x1916 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) x1917 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1917 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1916, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x1916 @@ -8640,25 +8635,25 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1917, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x1917 x1918 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1918 += einsum(x7, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) + x1918 += einsum(x7, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) del x7 t3new_bbbbbb += einsum(x1918, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1918, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x1918 x1919 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1919 += einsum(x8, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) + x1919 += einsum(x8, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) del x8 t3new_bbbbbb += einsum(x1919, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1919, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x1919 x1920 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1920 += einsum(x1005, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + x1920 += einsum(x1005, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x1005 t3new_bbbbbb += einsum(x1920, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1920, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x1920 x1921 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1921 += einsum(x160, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) + x1921 += einsum(x160, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) del x160 t3new_bbbbbb += einsum(x1921, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1921, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 @@ -8666,7 +8661,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1921, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 del x1921 x1922 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1922 += einsum(x161, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 2, 7), (5, 7, 0, 4, 6, 3)) + x1922 += einsum(x161, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 5, 6, 2, 7), (5, 7, 0, 4, 6, 3)) del x161 t3new_bbbbbb += einsum(x1922, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1922, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 @@ -8674,19 +8669,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1922, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 del x1922 x1923 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1923 += einsum(x1006, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + x1923 += einsum(x1006, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x1006 t3new_bbbbbb += einsum(x1923, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1923, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x1923 x1924 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1924 += einsum(x1007, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 0), (5, 1, 2, 4, 6, 7)) + x1924 += einsum(x1007, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 5, 6, 7, 0), (5, 1, 2, 4, 6, 7)) del x1007 t3new_bbbbbb += einsum(x1924, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1924, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x1924 x1925 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1925 += einsum(v.bbbb.ovOO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 0, 6)) + x1925 += einsum(v.bbbb.ovOO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 0, 6)) x1926 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1926 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1925, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x1925 @@ -8694,7 +8689,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1926, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x1926 x1927 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1927 += einsum(v.bbbb.oOvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 0, 6)) + x1927 += einsum(v.bbbb.oOvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 0, 6)) x1928 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1928 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1927, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x1927 @@ -8702,7 +8697,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1928, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x1928 x1929 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1929 += einsum(v.bbbb.ovvv, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) * -1.0 + x1929 += einsum(v.bbbb.ovvv, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) x1930 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1930 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1929, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x1929 @@ -8710,7 +8705,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1930, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x1930 x1931 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1931 += einsum(v.bbbb.ovVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 0, 7)) + x1931 += einsum(v.bbbb.ovVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 0, 7)) x1932 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1932 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1931, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x1931 @@ -8718,49 +8713,49 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1932, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x1932 x1933 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1933 += einsum(x10, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) + x1933 += einsum(x10, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) del x10 t3new_bbbbbb += einsum(x1933, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1933, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x1933 x1934 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1934 += einsum(x9, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 0, 6), (4, 6, 2, 3, 5, 1)) + x1934 += einsum(x9, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 0, 6), (4, 6, 2, 3, 5, 1)) del x9 t3new_bbbbbb += einsum(x1934, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1934, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 del x1934 x1935 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1935 += einsum(x1015, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 7, 1), (5, 0, 4, 3, 6, 7)) + x1935 += einsum(x1015, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 7, 1), (5, 0, 4, 3, 6, 7)) del x1015 t3new_bbbbbb += einsum(x1935, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1935, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x1935 x1936 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1936 += einsum(x1016, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 4, 2, 6, 7)) + x1936 += einsum(x1016, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 5, 6, 7, 1), (5, 0, 4, 2, 6, 7)) del x1016 t3new_bbbbbb += einsum(x1936, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1936, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x1936 x1937 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1937 += einsum(x1020, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 7, 2)) + x1937 += einsum(x1020, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 7, 2)) del x1020 t3new_bbbbbb += einsum(x1937, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1937, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 del x1937 x1938 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1938 += einsum(x1023, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 1, 5, 6, 7), (0, 7, 4, 2, 5, 6)) + x1938 += einsum(x1023, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 1, 5, 6, 7), (0, 7, 4, 2, 5, 6)) del x1023 t3new_bbbbbb += einsum(x1938, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1938, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x1938 x1939 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1939 += einsum(x1025, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 6, 2)) + x1939 += einsum(x1025, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 6, 2)) del x1025 t3new_bbbbbb += einsum(x1939, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x1939, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 del x1939 x1940 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1940 += einsum(x1026, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 2, 7), (0, 7, 4, 5, 6, 3)) + x1940 += einsum(x1026, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 2, 7), (0, 7, 4, 5, 6, 3)) del x1026 t3new_bbbbbb += einsum(x1940, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x1940, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 @@ -8890,7 +8885,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1959, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 del x1959 x1960 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) - x1960 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (0, 4, 1, 5), (5, 2, 3, 4)) * -1.0 + x1960 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (1, 4, 0, 5), (5, 2, 3, 4)) x1961 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x1961 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1960, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 del x1960 @@ -8928,7 +8923,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x1966 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x1966 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) x1967 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1967 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1966, (4, 5, 6, 0, 7, 1), (4, 5, 6, 7, 2, 3)) + x1967 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1966, (4, 5, 6, 1, 7, 0), (4, 5, 6, 7, 2, 3)) * -1.0 t3new_bbbbbb += einsum(x1967, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1967, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 t3new_bbbbbb += einsum(x1967, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 @@ -9030,7 +9025,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1982, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 del x1982 x1983 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1983 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1089, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 2, 7)) + x1983 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1089, (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) t3new_bbbbbb += einsum(x1983, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 t3new_bbbbbb += einsum(x1983, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 t3new_bbbbbb += einsum(x1983, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 @@ -9117,25 +9112,25 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x1995, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x1995 x1996 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1996 += einsum(x1337, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) + x1996 += einsum(x1337, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) del x1337 t3new_bbbbbb += einsum(x1996, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * -2.0 t3new_bbbbbb += einsum(x1996, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * 2.0 del x1996 x1997 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1997 += einsum(x1334, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) + x1997 += einsum(x1334, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) del x1334 t3new_bbbbbb += einsum(x1997, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 2.0 t3new_bbbbbb += einsum(x1997, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -2.0 del x1997 x1998 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1998 += einsum(x1344, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 3, 6)) + x1998 += einsum(x1344, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 3, 6)) del x1344 t3new_bbbbbb += einsum(x1998, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 t3new_bbbbbb += einsum(x1998, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 del x1998 x1999 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1999 += einsum(x1346, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 3, 6)) + x1999 += einsum(x1346, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 3, 6)) del x1346 t3new_bbbbbb += einsum(x1999, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 2.0 t3new_bbbbbb += einsum(x1999, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -2.0 @@ -9149,25 +9144,25 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2000, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x2000 x2001 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2001 += einsum(x14, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + x2001 += einsum(x14, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x14 t3new_bbbbbb += einsum(x2001, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x2001, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x2001 x2002 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2002 += einsum(x177, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x2002 += einsum(x177, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) del x177 t3new_bbbbbb += einsum(x2002, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_bbbbbb += einsum(x2002, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x2002 x2003 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2003 += einsum(x1141, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + x2003 += einsum(x1141, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x1141 t3new_bbbbbb += einsum(x2003, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_bbbbbb += einsum(x2003, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 del x2003 x2004 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2004 += einsum(x1148, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + x2004 += einsum(x1148, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x1148 t3new_bbbbbb += einsum(x2004, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 t3new_bbbbbb += einsum(x2004, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 @@ -9200,7 +9195,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2008, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 del x2008 x2009 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2009 += einsum(x1371, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) + x2009 += einsum(x1371, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) del x1371 t3new_bbbbbb += einsum(x2009, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 4.0 t3new_bbbbbb += einsum(x2009, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -4.0 @@ -9214,7 +9209,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2010, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 del x2010 x2011 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2011 += einsum(x1366, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 3, 6)) + x2011 += einsum(x1366, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 3, 6)) del x1366 t3new_bbbbbb += einsum(x2011, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 4.0 t3new_bbbbbb += einsum(x2011, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -4.0 @@ -9222,7 +9217,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x2012 = np.zeros((naocc[1], naocc[1], navir[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) x2012 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ovvO, (4, 5, 2, 6), (1, 6, 3, 4, 0, 5)) x2013 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2013 += einsum(t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (0, 1, 2, 3, 4, 5), x2012, (6, 2, 7, 1, 8, 4), (6, 7, 5, 8, 0, 3)) + x2013 += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x2012, (6, 2, 7, 1, 8, 4), (6, 7, 5, 8, 0, 3)) del x2012 t3new_bbbbbb += einsum(x2013, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 4.0 t3new_bbbbbb += einsum(x2013, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -4.0 @@ -9242,7 +9237,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2015, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x2015 x2016 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2016 += einsum(x265, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 + x2016 += einsum(x265, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 t3new_bbbbbb += einsum(x2016, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 t3new_bbbbbb += einsum(x2016, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 del x2016 @@ -9261,7 +9256,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2018, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 12.0 del x2018 x2019 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2019 += einsum(x18, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 + x2019 += einsum(x18, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 del x18 t3new_bbbbbb += einsum(x2019, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x2019, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 @@ -9277,10 +9272,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2020, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 del x2020 x2021 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2021 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) * -1.0 - t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x2021, (4, 5, 6, 7, 0, 1), (7, 6, 4, 2, 3, 5)) * -6.0 + x2021 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x2021, (4, 5, 6, 7, 1, 0), (7, 6, 4, 2, 3, 5)) * 6.0 x2022 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2022 += einsum(x183, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 + x2022 += einsum(x183, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 del x183 t3new_bbbbbb += einsum(x2022, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_bbbbbb += einsum(x2022, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 @@ -9288,11 +9283,11 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2022, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x2022 x2023 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) - x2023 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (0, 2, 4, 5, 6, 3), (4, 5, 6, 1)) * -1.0 + x2023 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 0, 4, 5, 6, 3), (4, 5, 6, 1)) t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2023, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * 6.0 del x2023 x2024 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) - x2024 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (0, 2, 4, 5, 6, 3), (4, 5, 6, 1)) * -1.0 + x2024 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (0, 2, 4, 5, 6, 3), (4, 5, 6, 1)) * -1.0 t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2024, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * 6.0 del x2024 x2025 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) @@ -9304,19 +9299,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2025, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 del x2025 x2026 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2026 += einsum(x1175, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + x2026 += einsum(x1175, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x1175 t3new_bbbbbb += einsum(x2026, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 t3new_bbbbbb += einsum(x2026, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 del x2026 x2027 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2027 += einsum(x1176, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + x2027 += einsum(x1176, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x1176 t3new_bbbbbb += einsum(x2027, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 t3new_bbbbbb += einsum(x2027, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 12.0 del x2027 x2028 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2028 += einsum(x1177, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + x2028 += einsum(x1177, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) del x1177 t3new_bbbbbb += einsum(x2028, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 t3new_bbbbbb += einsum(x2028, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 @@ -9330,7 +9325,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2029, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x2029 x2030 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2030 += einsum(x1181, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + x2030 += einsum(x1181, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x1181 t3new_bbbbbb += einsum(x2030, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 t3new_bbbbbb += einsum(x2030, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 @@ -9346,35 +9341,35 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2031, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x2031 x2032 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2032 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 3, 2, 1, 6), (6, 4, 5, 0)) - t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2032, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * 12.0 + x2032 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 3, 2, 1, 6), (6, 4, 5, 0)) + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2032, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * -12.0 del x2032 x2033 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2033 += einsum(x1184, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + x2033 += einsum(x1184, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x1184 t3new_bbbbbb += einsum(x2033, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 t3new_bbbbbb += einsum(x2033, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 del x2033 x2034 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2034 += einsum(x1185, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) + x2034 += einsum(x1185, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) del x1185 t3new_bbbbbb += einsum(x2034, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x2034, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x2034 x2035 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2035 += einsum(x1187, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + x2035 += einsum(x1187, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x1187 t3new_bbbbbb += einsum(x2035, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 t3new_bbbbbb += einsum(x2035, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 del x2035 x2036 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2036 += einsum(t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (0, 1, 2, 3, 4, 5), x1188, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) + x2036 += einsum(t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (0, 1, 2, 3, 4, 5), x1188, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) del x1188 t3new_bbbbbb += einsum(x2036, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x2036, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x2036 x2037 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2037 += einsum(t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (0, 1, 2, 3, 4, 5), x1189, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) + x2037 += einsum(t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (0, 1, 2, 3, 4, 5), x1189, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) del x1189 t3new_bbbbbb += einsum(x2037, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x2037, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 @@ -9693,13 +9688,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2094, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 del x2094 x2095 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2095 += einsum(x21, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + x2095 += einsum(x21, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x21 t3new_bbbbbb += einsum(x2095, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x2095, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x2095 x2096 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2096 += einsum(x0, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x2096 += einsum(x0, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) x2097 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2097 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2096, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2096 @@ -9707,7 +9702,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2097, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x2097 x2098 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2098 += einsum(x13, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 0, 5, 6, 3, 7), (5, 7, 1, 4, 2, 6)) + x2098 += einsum(x13, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 3, 7), (5, 7, 1, 4, 2, 6)) del x13 x2099 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2099 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2098, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) @@ -9718,13 +9713,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2099, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 del x2099 x2100 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2100 += einsum(x1460, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) + x2100 += einsum(x1460, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) del x1460 t3new_bbbbbb += einsum(x2100, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * -2.0 t3new_bbbbbb += einsum(x2100, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * 2.0 del x2100 x2101 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2101 += einsum(x982, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOb,svb,sva,sVb)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) + x2101 += einsum(x982, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) del x982 x2102 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2102 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2101, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) @@ -9733,12 +9728,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2102, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 del x2102 x2103 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2103 += einsum(x276, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 + x2103 += einsum(x276, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 t3new_bbbbbb += einsum(x2103, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 t3new_bbbbbb += einsum(x2103, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 del x2103 x2104 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2104 += einsum(x16, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) + x2104 += einsum(x16, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) x2105 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2105 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2104, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2104 @@ -9748,7 +9743,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2105, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x2105 x2106 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2106 += einsum(x16, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) + x2106 += einsum(x16, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) del x16 x2107 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2107 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2106, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) @@ -9759,13 +9754,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2107, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x2107 x2108 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2108 += einsum(x22, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + x2108 += einsum(x22, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x22 t3new_bbbbbb += einsum(x2108, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x2108, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x2108 x2109 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2109 += einsum(x23, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) + x2109 += einsum(x23, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) del x23 t3new_bbbbbb += einsum(x2109, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x2109, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 @@ -9776,7 +9771,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2110, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 6.0 del x2110 x2111 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2111 += einsum(x1, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x2111 += einsum(x1, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) x2112 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2112 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2111, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2111 @@ -9784,7 +9779,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2112, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x2112 x2113 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2113 += einsum(x20, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) + x2113 += einsum(x20, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) x2114 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2114 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2113, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) del x2113 @@ -9792,19 +9787,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2114, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x2114 x2115 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2115 += einsum(x1306, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + x2115 += einsum(x1306, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x1306 t3new_bbbbbb += einsum(x2115, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 t3new_bbbbbb += einsum(x2115, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 del x2115 x2116 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2116 += einsum(x1308, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) + x2116 += einsum(x1308, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) del x1308 t3new_bbbbbb += einsum(x2116, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 t3new_bbbbbb += einsum(x2116, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 del x2116 x2117 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2117 += einsum(x1309, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) + x2117 += einsum(x1309, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) del x1309 x2118 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2118 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2117, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) @@ -9813,19 +9808,19 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2118, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 del x2118 x2119 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2119 += einsum(x1316, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + x2119 += einsum(x1316, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x1316 t3new_bbbbbb += einsum(x2119, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 t3new_bbbbbb += einsum(x2119, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 del x2119 x2120 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2120 += einsum(x1318, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) + x2120 += einsum(x1318, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) del x1318 t3new_bbbbbb += einsum(x2120, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 t3new_bbbbbb += einsum(x2120, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 3.0 del x2120 x2121 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2121 += einsum(x1317, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + x2121 += einsum(x1317, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x1317 x2122 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2122 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2121, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) @@ -9834,7 +9829,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2122, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 del x2122 x2123 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2123 += einsum(x1315, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOb,svb,svb,sVb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) + x2123 += einsum(x1315, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) del x1315 x2124 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2124 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2123, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) @@ -9998,7 +9993,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x2151 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2151 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1413, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) x2152 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2152 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x2151, (4, 5, 6, 7, 0, 1), (4, 5, 6, 7, 2, 3)) + x2152 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x2151, (4, 5, 6, 7, 1, 0), (4, 5, 6, 7, 2, 3)) * -1.0 t3new_bbbbbb += einsum(x2152, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2152, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 t3new_bbbbbb += einsum(x2152, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 @@ -10197,12 +10192,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) x2187 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2187 += einsum(x1, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,sVb)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 del x1 - t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2187, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -4.0 + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2187, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * 4.0 del x2187 x2188 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) x2188 += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,sVb)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 del x20 - t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2188, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * 4.0 + t3new_bbbbbb += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2188, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * -4.0 del x2188 x2189 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2189 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1440, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 @@ -10235,7 +10230,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) t3new_bbbbbb += einsum(x2192, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 del x2192 x2193 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2193 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x961, (4, 5, 2, 3), (4, 0, 1, 5)) + x2193 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x961, (4, 5, 3, 2), (4, 0, 1, 5)) * -1.0 del x961 x2194 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) x2194 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2193, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) diff --git a/tests/test_GCCSDt.py b/tests/test_GCCSDt.py index a2360e6f..b20cbac4 100644 --- a/tests/test_GCCSDt.py +++ b/tests/test_GCCSDt.py @@ -12,7 +12,7 @@ @pytest.mark.regression -class GCCSDtp_Tests(unittest.TestCase): +class GCCSDt_Tests(unittest.TestCase): """Test GCCSDt against regression. """ diff --git a/tests/test_RCCSDt.py b/tests/test_RCCSDt.py index b84c89dc..7cd3238c 100644 --- a/tests/test_RCCSDt.py +++ b/tests/test_RCCSDt.py @@ -14,7 +14,7 @@ @pytest.mark.regression -class RCCSDtp_Tests(unittest.TestCase): +class RCCSDt_Tests(unittest.TestCase): """Test RCCSDt against GCCSDt. """ @@ -93,7 +93,7 @@ def test_t1(self): @pytest.mark.regression -class RCCSDtp_Frozen_Tests(unittest.TestCase): +class RCCSDt_Frozen_Tests(unittest.TestCase): """Test RCCSDt against GCCSDt with a frozen core approximation. """ From a33e57c32128afc883d9d46d1db63934ac826669 Mon Sep 17 00:00:00 2001 From: Ollie Backhouse Date: Sat, 28 Oct 2023 11:41:35 +0100 Subject: [PATCH 10/10] Disable logging on test --- tests/test_UCCSDt.py | 108 +++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 108 insertions(+) create mode 100644 tests/test_UCCSDt.py diff --git a/tests/test_UCCSDt.py b/tests/test_UCCSDt.py new file mode 100644 index 00000000..970f9267 --- /dev/null +++ b/tests/test_UCCSDt.py @@ -0,0 +1,108 @@ +"""Tests for the UCCSDt model. +""" + +import itertools +import unittest + +import numpy as np +import pytest +from pyscf import gto, lib, scf, fci +import scipy.linalg + +from ebcc import UEBCC, GEBCC, Space, NullLogger, util + + +@pytest.mark.regression +class UCCSDt_Tests(unittest.TestCase): + """Test UCCSDt against GCCSDt. + """ + + @classmethod + def setUpClass(cls): + mol = gto.Mole() + mol.atom = "H 0 0 0; Li 0 0 1.64" + mol.basis = "6-31g" + mol.verbose = 0 + mol.build() + + mf = scf.UHF(mol) + mf.kernel() + + active = [np.zeros_like(o) for o in mf.mo_occ] + for i in range(2): + active[i][np.sum(mf.mo_occ[i] > 0) - 1] = active[i][np.sum(mf.mo_occ[i] > 0)] = True + space = tuple(Space(o > 0, np.zeros_like(a), a) for o, a in zip(mf.mo_occ, active)) + + uccsdt = UEBCC( + mf, + ansatz="CCSDt", + space=space, + log=NullLogger(), + ) + uccsdt.options.e_tol = 1e-8 + uccsdt.options.t_tol = 1e-6 + uccsdt.kernel() + + gmf = mf.to_uhf().to_ghf() + active = np.zeros_like(gmf.mo_occ) + active[np.where(np.isclose(gmf.mo_energy, mf.mo_energy[0][np.sum(mf.mo_occ[0] > 0) - 1]))[0]] = True + active[np.where(np.isclose(gmf.mo_energy, mf.mo_energy[1][np.sum(mf.mo_occ[1] > 0) - 1]))[0]] = True + active[np.where(np.isclose(gmf.mo_energy, mf.mo_energy[0][np.sum(mf.mo_occ[0] > 0)]))[0]] = True + active[np.where(np.isclose(gmf.mo_energy, mf.mo_energy[1][np.sum(mf.mo_occ[1] > 0)]))[0]] = True + space = Space(gmf.mo_occ > 0, np.zeros_like(active), active) + + gccsdt = GEBCC( + gmf, + ansatz="CCSDt", + space=space, + log=NullLogger(), + ) + gccsdt.options.e_tol = 1e-8 + gccsdt.options.t_tol = 1e-6 + gccsdt.kernel() + + cls.mf, cls.uccsdt, cls.gccsdt = mf, uccsdt, gccsdt + + @classmethod + def tearDownClass(cls): + del cls.mf, cls.uccsdt, cls.gccsdt + + def test_energy(self): + a = self.uccsdt.e_tot + b = self.gccsdt.e_tot + self.assertAlmostEqual(a, b, 6) + + def test_3_electron_exact(self): + mol = gto.M( + atom="H 0 0 0; H 0 0 1", + basis="6-31g", + spin=1, + charge=-1, + verbose=0, + ) + assert mol.nelectron == 3 + + mf = scf.UHF(mol) + mf.kernel() + + space = tuple(Space(o > 0, np.zeros_like(o), np.ones_like(o)) for o in mf.mo_occ) + + ccsdt = UEBCC( + mf, + ansatz="CCSDt", + space=space, + log=NullLogger(), + ) + ccsdt.kernel() + e1 = ccsdt.e_tot + + ci = fci.FCI(mf) + ci.conv_tol = 1e-10 + e2 = ci.kernel()[0] + + self.assertAlmostEqual(e1, e2, 6) + + +if __name__ == "__main__": + print("Tests for UCCSDt") + unittest.main()