From d7d2c229c305f5b4ee23e953cf47357330951557 Mon Sep 17 00:00:00 2001 From: Qiming Sun Date: Wed, 13 Nov 2024 06:23:56 -0800 Subject: [PATCH] Adjust threshold in tests --- pyscf/msdft/tests/test_noci.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) 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='''