Fixed to_ase_atoms

nomad-coe · Jan 29, 2024 · 6866cfc · 6866cfc
1 parent 8989aa5
commit 6866cfc
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/simulationdataschema/model_system.py b/simulationdataschema/model_system.py
@@ -411,7 +411,7 @@ def resolve_bulk_symmetry(self, original_atomic_cell, logger):
         """
         symmetry = {}
         try:
-            ase_atoms = original_atomic_cell.to_ase_atoms(original_atomic_cell, logger)
+            ase_atoms = original_atomic_cell.to_ase_atoms(logger)
             symmetry_analyzer = SymmetryAnalyzer(
                 ase_atoms, symmetry_tol=config.normalize.symmetry_tolerance
             )
@@ -608,7 +608,7 @@ def resolve_chemical_formulas(self, formula):
 
     def normalize(self, archive, logger):
         atomic_cell = check_parent_and_atomic_cell(self, logger)
-        ase_atoms = atomic_cell.to_ase_atoms(atomic_cell, logger)
+        ase_atoms = atomic_cell.to_ase_atoms(logger)
         formula = None
         try:
             formula = Formula(ase_atoms.get_chemical_formula())