GAUSSIAN_ANALYZER(1)

✨ NAME ✨

gaussian_analyzer — it's giving pymatgen energy 💅

🦋 DESCRIPTION 🦋

okay bestie, so here's the vibe. The usage goes a little something like this:

usage: gaussian_analyzer [-h] [-v] [-f] [dir ...]

It's a convenient Gaussian run analyzer that can recursively go into a directory and search for results, no cap. It just goes in, digs around, finds what you need. 🕵️‍♀️✨

Author:</purl> Shyue Ping Ong Version: 1.0 Last updated: Jul 6 2012

ngl that last-updated date is giving vintage. iconic behavior from 2012 fr fr 🫶

🎀 positional arguments 🎀

• dir — the directory to process, bestie. point it at a folder and it does its thing 💖

🌸 optional arguments 🌸

• -h, --help — shows this help message and then dips. classic. exits immediately, main character energy 👑
• -v, --verbose — verbose mode, periodt. gives you detailed output on the progress so you can watch it cook in real time 🔥
• -f, --force — forces a reanalysis instead of reusing gaussian_analyzer_data.gz. lowkey the "i don't trust the cache" button 💀

🌈 reminder: if you don't pass -f, it'll happily reuse gaussian_analyzer_data.gz — so if the numbers look sus and you want a fresh take, that's your flag, iykyk.

and that's the whole page, bestie! 🎀✨ this lil slice of documentation comes courtesy of pymatgen, dated December 2020. go forth and analyze those Gaussian runs, you absolute icon 🦋💜