Merge branch 'ase_version_qe' of ssh://github.com/libAtoms/workflow i…

…nto ase_version_qe
libAtoms · Jul 22, 2024 · c71e03a · c71e03a
2 parents 6eb4161 + ab53d8a
commit c71e03a
Showing 1 changed file with 0 additions and 3 deletions.
diff --git a/wfl/calculators/espresso.py b/wfl/calculators/espresso.py
@@ -84,9 +84,6 @@ def calculate(self, atoms=None, properties=_default_properties, system_changes=a
             calculation_succeeded = True
             if 'DFT_FAILED_ESPRESSO' in atoms.info:
                 del atoms.info['DFT_FAILED_ESPRESSO']
-            if "__calculator_output_prefix" in atoms.info:
-                save_calc_results(atoms, prefix=atoms.info["__calculator_output_prefix"], properties=properties)
-                atoms.info["__calculator_results_saved"] = True
         except Exception as exc:
             atoms.info['DFT_FAILED_ESPRESSO'] = True
             calculation_succeeded = False