PMG

NAME

pmg - pymatgen

DESCRIPTION

usage: pmg [-h] {config,analyze,query,plot,structure,view,diff,potcar} ...

pmg is a convenient script that uses pymatgen to perform many analyses, plotting and format conversions. This script works based on several subcommands with their own options. To see the options for the sub-commands, type "pmg sub-command -h".

positional arguments:

{config,analyze,query,plot,structure,view,diff,potcar}

config

Tools for configuring pymatgen, e.g., potcar setup, modifying .pmgrc.yaml configuration file.

analyze

Vasp calculation analysis tools.

	query		Search for structures and data from the Materials Project.
	plot		Plotting tool for DOS, CHGCAR, XRD, etc.

structure

Structure conversion and analysis tools.

	view		Visualize structures
	diff		Diffing tool. For now, only INCAR supported.

potcar

Generate POTCARs

optional arguments:

-h, --help

show this help message and exit

Version: 2020.12.18