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Update 2D PBC ref values for finite bath
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basilib committed Jul 11, 2023
1 parent 4d119dc commit 593a595
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions vayesta/tests/ewf/test_h2_pbc.py
Original file line number Diff line number Diff line change
Expand Up @@ -317,7 +317,7 @@ def setUpClass(cls):
cls.ref_values = {
('e_corr', -1) : cls.cc.e_corr/nk,
('e_tot', -1) : cls.cc.e_tot/nk,
('e_corr', 1e-3) : -0.013768516654027911,
('e_corr', 1e-3) : -0.013767086213673153,
}
cls.ref_values[('e_tot', 1e-3)] = cls.mf.e_tot + cls.ref_values[('e_corr', 1e-3)]

Expand All @@ -332,7 +332,7 @@ def setUpClass(cls):
cls.ref_values = {
('e_corr', -1) : cls.cc.e_corr/nk,
('e_tot', -1) : cls.cc.e_tot/nk,
('e_corr', 1e-3) : -0.019821885830904003,
('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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