Closed bernstei closed 8 months ago
This line in clean_rundir() https://github.com/libAtoms/workflow/blob/775fef9616d1c96a87d8a1e98062583b64fa468e/wfl/calculators/utils.py#L129 ignores the user's choice of keep_files. When a calculation fails (rather than the user explicitly selecting default), it should probably keep the union of default and user selected files.
clean_rundir()
keep_files
default
This line in
clean_rundir()https://github.com/libAtoms/workflow/blob/775fef9616d1c96a87d8a1e98062583b64fa468e/wfl/calculators/utils.py#L129 ignores the user's choice ofkeep_files. When a calculation fails (rather than the user explicitly selectingdefault), it should probably keep the union of default and user selected files.