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Add ref value for 2D test
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basilib committed Sep 25, 2024
1 parent 6fcec60 commit 20e4f66
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion vayesta/tests/ewf/test_h2_pbc.py
Original file line number Diff line number Diff line change
Expand Up @@ -341,7 +341,7 @@ def setUpClass(cls):
cls.ref_values = {
("e_corr", -1): cls.cc.e_corr / nk,
("e_tot", -1): cls.cc.e_tot / nk,
("e_ccsd_t", -1): cls.cc.uccsd_t() / nk,
("e_ccsd_t", -1): cls.cc.ccsd_t() / nk,
("e_corr", 1e-3): -0.019820060226576966,
}
cls.ref_values[("e_tot", 1e-3)] = cls.mf.e_tot + cls.ref_values[("e_corr", 1e-3)]
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