From a947e51b55eb92cf3e9faa1afddb4a5de77a9897 Mon Sep 17 00:00:00 2001 From: ireaml Date: Wed, 6 Sep 2023 22:10:01 +0200 Subject: [PATCH] and `test_energy_lowering_distortions` --- tests/test_energy_lowering_distortions.py | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/tests/test_energy_lowering_distortions.py b/tests/test_energy_lowering_distortions.py index 6c54bf8..a528335 100644 --- a/tests/test_energy_lowering_distortions.py +++ b/tests/test_energy_lowering_distortions.py @@ -189,7 +189,9 @@ def test_read_defects_directories(self): os.path.join(self.DATA_DIR, "vasp") ) defect_charges_dict = {**defect_charges_dict_cdte, **defect_charges_dict_tio2} - self.assertDictEqual(defect_charges_dict, {"vac_1_Ti": [0], "vac_1_Cd": [0]}) + self.assertDictEqual( + defect_charges_dict, {"v_O_s1": [0], "vac_1_Ti": [0], "vac_1_Cd": [0]} + ) for i in self.defect_folders_list: os.mkdir(os.path.join(self.VASP_CDTE_DATA_DIR, i)) @@ -204,6 +206,7 @@ def test_read_defects_directories(self): "sub_1_In_on_Cd": [1], "vac_1_Cd": [0], "vac_1_Ti": [0], + "v_O_s1": [0], } self.assertEqual( defect_charges_dict.keys(),