diff --git a/pyscf_version.txt b/pyscf_version.txt index c0737918..b57261e0 100644 --- a/pyscf_version.txt +++ b/pyscf_version.txt @@ -1 +1 @@ -git+https://github.com/pyscf/pyscf.git@410d9608a73ad3a507b3008a6f68549288ebfc33 +git+https://github.com/pyscf/pyscf.git@25eaa9572977b903de24d5c11ad345cecd744728 diff --git a/tests/lassi/test_c2h4n4.py b/tests/lassi/test_c2h4n4.py index d01717dc..72f49820 100644 --- a/tests/lassi/test_c2h4n4.py +++ b/tests/lassi/test_c2h4n4.py @@ -186,7 +186,7 @@ def test_lassis_slow (self): with self.subTest (opt=opt): lsis = LASSIS (las1).run (opt=opt) self.assertTrue (lsis.converged) - self.assertAlmostEqual (lsis.e_roots[0], -295.5210783894406, 7) + self.assertAlmostEqual (lsis.e_roots[0], -295.5211528768355, 7) case_lassis_fbf_2_model_state (self, lsis) case_lassis_fbfdm (self, lsis) with self.subTest ('as_scanner'): diff --git a/tests/lassi/test_lassis_targets_slow.py b/tests/lassi/test_lassis_targets_slow.py index 83b0f953..b0476135 100644 --- a/tests/lassi/test_lassis_targets_slow.py +++ b/tests/lassi/test_lassis_targets_slow.py @@ -135,7 +135,7 @@ def test_c2h4n4_2frag (self): self.assertTrue (lsi.converged) # test de = 1000 * (e_str - e_equil) - self.assertAlmostEqual (de, 191.185141573740, 1) + self.assertAlmostEqual (de, 191.06467851275966, 1) def test_kremer_cr2_model (self): xyz='''Cr -1.320780000000 0.000050000000 -0.000070000000