pymatgen.cli.pmg_potcar module

Implementation for pmg potcar CLI.

gen_potcar(dirname, filename)[source]

Generate POTCAR from POTCAR.spec in directories.

Parameters

  • dirname (str) – Directory name.

  • filename (str) – Filename in directory.

generate_potcar(args)[source]

Generate POTCAR.

Parameters

args (dict) – Args from argparse.

proc_dir(dirname, procfilefunction)[source]

Process a directory.

Parameters

  • dirname (str) – Directory name.

  • procfilefunction (callable) – Callable to execute on directory.