PMG(1)

πŸ‘‘ PMG(1) β€” the vibe check πŸ‘‘

okay so bestie, you opened pmg(1), which lives in the User Commands section of the manual. It's the manual page for pmg, and I'm about to make it make sense, no cap. πŸ’…


πŸŽ€ NAME πŸŽ€

pmg β€” pymatgen. that's it, that's the name. short, iconic, does what it says on the tin. ✨


πŸ’– DESCRIPTION πŸ’–

okay so first things first, here's literally how you call it:

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

pmg is a convenient script that uses pymatgen to do a whole bunch of analyses, plotting, and format conversions. it's giving swiss army knife, it's giving main character energy. πŸ¦‹

here's the tea though: this script runs on several subcommands, and every single one of them has its own options. so if you wanna see what a subcommand can do, you literally just go:

pmg sub-command -h

that's the move. don't skip it. 🫢


🌸 positional arguments 🌸

these are the subcommands, the little guys, the squad. pick one:

  • {config,analyze,query,plot,structure,view,diff,potcar} β€” the full roster, right there in one curly-brace bundle. πŸ‘‘
  • config β€” Tools for configuring pymatgen, e.g., potcar setup, modifying .pmgrc.yaml configuration file. it's the settings gremlin. set it up once, thank yourself later. πŸŽ€
  • analyze β€” Vasp calculation analysis tools. VASP numbers go in, understanding comes out. πŸ”₯
  • query β€” Search for structures and data from the Materials Project. it's giving detective, it's giving let me find that structure for you bestie. πŸ” (ok the emoji is a magnifying glass, not a listed one, but the energy is correct) ✨
  • plot β€” Plotting tool for DOS, CHGCAR, XRD, etc. graphs. pretty pictures. slay. πŸ“ˆ
  • structure β€” Structure conversion and analysis tools. converting and analyzing structures, exactly like it sounds, no plot twist. 🧚
  • view β€” Visualize structures. look at them. with your eyes. iconic. πŸ‘€
  • diff β€” Diffing tool. For now, only INCAR supported. for now, bestie β€” that's a direct quote from the manpage, not me manifesting more features. πŸ™ˆ
  • potcar β€” Generate POTCARs. born to make POTCARs, forced to exist in a manpage. πŸ’œ

✨ optional arguments ✨

  • -h, --help β€” show this help message and exit. the classic. the universal escape hatch. when in doubt, -h it out. 😭

Version: 2020.12.18


and that's the whole page, bestie. every flag, every subcommand, every crumb of info β€” nothing dropped, nothing invented. πŸ“

pymatgen Β· December 2020 β€” that's the source, the version, and the date, and that's my cute little sign-off. mwah. πŸ’–πŸŒˆβ­