Add mixed-valence structure test

SMTG-Bham · Nov 3, 2024 · b19be6b · b19be6b
1 parent 7c70dc4
commit b19be6b
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Showing 10 changed files with 208 additions and 103 deletions.
diff --git a/tests/data/CdTe_defect_gen.json b/tests/data/CdTe_defect_gen.json
diff --git a/tests/data/N_diamond_defect_gen.json b/tests/data/N_diamond_defect_gen.json
diff --git a/tests/data/Sn5O6_POSCAR b/tests/data/Sn5O6_POSCAR
@@ -0,0 +1,30 @@
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diff --git a/tests/data/agcu_defect_gen.json b/tests/data/agcu_defect_gen.json
diff --git a/tests/data/cd_i_supercell_defect_gen.json b/tests/data/cd_i_supercell_defect_gen.json
diff --git a/tests/data/cu_defect_gen.json b/tests/data/cu_defect_gen.json
diff --git a/tests/data/lmno_defect_gen.json b/tests/data/lmno_defect_gen.json
diff --git a/tests/data/ytos_defect_gen.json b/tests/data/ytos_defect_gen.json
diff --git a/tests/data/ytos_defect_gen_supercell.json b/tests/data/ytos_defect_gen_supercell.json
diff --git a/tests/test_generation.py b/tests/test_generation.py