Tidy fix

ElliottKasoar · Nov 14, 2024 · 54a2026 · 54a2026
1 parent d57c409
commit 54a2026
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/abcd/model.py b/abcd/model.py
@@ -160,7 +160,7 @@ def from_atoms(cls, atoms: Atoms, extra_info=None, store_calc=True):
         arrays_keys = set(atoms.arrays.keys())
         info_keys = set(atoms.info.keys())
         if store_calc and atoms.calc:
-            results_keys = set(atoms.calc.results.keys() - (arrays_keys | info_keys))
+            results_keys = atoms.calc.results.keys() - (arrays_keys | info_keys)
         else:
             results_keys = {}