Fix pickle serializability (#1828)

Fix pickle-ability of output schemas, first noticed in #1729.
Quantum-Accelerators · Mar 4, 2024 · aae4484 · aae4484
1 parent dc93d4f
commit aae4484
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/src/quacc/schemas/atoms.py b/src/quacc/schemas/atoms.py
@@ -57,6 +57,7 @@ def atoms_to_metadata(
     additional_fields = additional_fields or {}
     atoms = copy_atoms(atoms)
     results = {}
+    atoms.calc = None
 
     # Set any charge or multiplicity keys
     if not atoms.pbc.any():