pymatgen.cli.pmg_analyze module
Implementation for pmg analyze CLI.
- analyze(args)[source]
Master function controlling which analysis to call.
- Parameters
args (dict) – args from argparse.
- get_energies(rootdir, reanalyze, verbose, quick, sort, fmt)[source]
Get energies of all vaspruns in directory (nested). :param rootdir: Root directory. :type rootdir: str :param reanalyze: Whether to ignore saved results and reanalyze :type reanalyze: bool :param verbose: Verbose mode or not. :type verbose: bool :param quick: Whether to perform a quick analysis (using OSZICAR instead
of vasprun.xml
- Parameters
sort (bool) – Whether to sort the results in ascending order.
fmt (str) – tablefmt passed to tabulate.