From ec976eec9fb27e7395c4f53db5dd4be7f0ddc492 Mon Sep 17 00:00:00 2001 From: Sean Kavanagh Date: Mon, 12 Feb 2024 20:32:37 +0000 Subject: [PATCH] Fix hanging test --- tests/test_input.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/tests/test_input.py b/tests/test_input.py index c92d904..63df98c 100644 --- a/tests/test_input.py +++ b/tests/test_input.py @@ -3306,6 +3306,9 @@ def test_apply_distortions(self): fake_hydrogen_V_Cd_dict["charges"] = [0] fake_hydrogen_bulk = copy.copy(self.cdte_doped_defect_dict["bulk"]) fake_hydrogen_bulk["supercell"]["structure"][4].species = "H" + fake_hydrogen_bulk["supercell"]["structure"].add_oxidation_state_by_element( + {"Cd": +2, "Te": -2, "H": +1} + ) fake_hydrogen_V_Cd = input.generate_defect_object( fake_hydrogen_V_Cd_dict, fake_hydrogen_bulk, @@ -3316,7 +3319,6 @@ def test_apply_distortions(self): ] dist = input.Distortions( {"vac_1_Cd": fake_hydrogen_V_Cd_entries}, - oxidation_states=oxidation_states, bond_distortions=bond_distortions, ) distortion_defect_dict, distortion_metadata = dist.apply_distortions(