diff --git a/pyscf/msdft/tests/test_noci.py b/pyscf/msdft/tests/test_noci.py index 13c25c0b..16491a65 100644 --- a/pyscf/msdft/tests/test_noci.py +++ b/pyscf/msdft/tests/test_noci.py @@ -22,7 +22,7 @@ def test_hf_det_ovlp(): h, s = noci.hf_det_ovlp(ms_ks, [mf0, mf1]) ref = np.array([[-93.6133596391479, 10.03601933903856], [10.03601933903856, -93.43781863677702]]) - assert abs(h/ref - 1.).max() < 1e-7 + assert abs(h/ref - 1.).max() < 1e-6 def test_noci_e_tot(): mol = gto.M(atom='''