File tree Expand file tree Collapse file tree 2 files changed +5
-2
lines changed
Expand file tree Collapse file tree 2 files changed +5
-2
lines changed Original file line number Diff line number Diff line change @@ -118,8 +118,8 @@ def from_directory(
118118 vasprun_file = vasp_files ["standard" ]["vasprun_file" ],
119119 outcar_file = vasp_files ["standard" ]["outcar_file" ],
120120 contcar_file = vasp_files ["standard" ]["contcar_file" ],
121- volumetric_files = vasp_files ["standard" ][ "volumetric_files" ] ,
122- oszicar_file = vasp_files ["standard" ][ "oszicar_file" ] ,
121+ volumetric_files = vasp_files ["standard" ]. get ( "volumetric_files" ,[]) ,
122+ oszicar_file = vasp_files ["standard" ]. get ( "oszicar_file" , None ) ,
123123 vasprun_kwargs = {
124124 "parse_potcar_file" : False ,
125125 },
Original file line number Diff line number Diff line change @@ -955,6 +955,9 @@ def _parse_orig_inputs(
955955 }
956956 suffix = suffix or ""
957957 for filename in dir_name .glob ("*" .join (f"{ suffix } ." .split ("." ))):
958+ if "POTCAR.spec" in str (filename ):
959+ # Can't parse POTCAR.spec files
960+ continue
958961 for name , vasp_input in input_mapping .items ():
959962 if f"{ name } { suffix } " in str (filename ):
960963 if name == "POTCAR" :
You can’t perform that action at this time.
0 commit comments