Helpful tools I've created or found to be helpful in my computational chemistry PhD.
These are things that I keep on hand, mostly helpful bash stuff. Bashmarks is a real gem.
Literally, web bookmarks I like to keep organized.
Config files for programs I use often for settings I find annoying to deal with on a regular basis
Notes and examples for installing many materials science packages and computational science resources.
Lammps -
Donadio: A very well commented lammps script with some basic lammps-ian workflows (as in
you use lammps like a script-interpreter to set variables, then use those variables
to affect MD behavrior)
Sievers: A bare-bones script for getting IFC's from lammps
Pre-made ASE scripts to change formates of molecular geometries quickly
Just things I wrote I found handy and resuable in some capacity
Things like, what are matplotlib's adjustable RC params? That are kept as text files so you
can grep them easily for specifics. It's like a grab bag of documentation I found important
to keep on hand so I don't need to memorize it.