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).
- Parameters:
rootdir (str) – Root directory.
reanalyze (bool) – Whether to ignore saved results and reanalyze
verbose (bool) – Verbose mode or not.
quick (bool) – Whether to perform a quick analysis (using OSZICAR instead of vasprun.xml
sort (bool) – Whether to sort the results in ascending order.
fmt (str) – tablefmt passed to tabulate.