diff --git a/wfl/calculators/espresso.py b/wfl/calculators/espresso.py index b70f9833..4346c790 100644 --- 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