remove nans for real now

stfc · Jun 5, 2024 · 4c4405d · 4c4405d
1 parent 2b43729
commit 4c4405d
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/janus_core/calculations/single_point.py b/janus_core/calculations/single_point.py
@@ -301,6 +301,7 @@ def _remove_invalid_props(
                 )
             if prop in results:
                 del struct.info[f"{self.architecture}_{prop}"]
+                del struct.calc.results[prop]
                 del results[prop]
 
     def _clean_results(