From a70fad5e9a73af3cc75f41b8080e7a338a1958d0 Mon Sep 17 00:00:00 2001 From: Oliver Backhouse Date: Tue, 13 Aug 2024 22:06:54 +0100 Subject: [PATCH] Fix operator order for left IP-EOM --- ebcc/codegen/bootstrap_CCSD.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/ebcc/codegen/bootstrap_CCSD.py b/ebcc/codegen/bootstrap_CCSD.py index 83dd1924..a3c6b633 100644 --- a/ebcc/codegen/bootstrap_CCSD.py +++ b/ebcc/codegen/bootstrap_CCSD.py @@ -543,7 +543,7 @@ def tensor_cleanup(self, *args): # Get the L2 contractions in pdaggerq format pq.clear() pq.set_left_operators_type("IP") - pq.set_right_operators([["a*(a)", "a(i)", "a(j)"]]) + pq.set_right_operators([["a*(a)", "a(j)", "a(i)"]]) pq.set_left_operators([["l1"], ["l2"]]) pq.add_st_operator(1.0, ["f"], ["t1", "t2"]) pq.add_st_operator(1.0, ["v"], ["t1", "t2"])