Welcome to Spanners!
There are helpful tools I've created or found to be helpful in my computational chemistry PhD.
These are bash scripts that customize how my shell functions (e.g. removing the chime
for autocomplete) and also do some handy functions (e.g. bashmarks which lets bookmark
directories and jump to and from them very quickly!).
Also sets up pythonstartup so your interactive python sessions have automatic imports
of numpy and read (from ASE) by default.
Use deploy_spanners.sh to add some helpful tools to your ${HOME}/bin directory and add
some config files
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.
Since I edit text in nano, I have a specific config file that makes all tabs 4 spaces (for python work).
Matplotlibrc formats all the plots nicely!
Notes and examples for installing many materials science packages and computational science resources.
Project stuff that I need to organize better before it's useful to people other than myself
More to come here. I think it should be moved to the matsci folder
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) - from Davide Donadio
Sievers: A bare-bones script for getting IFC's from lammps - from Charles Sievers
GPUMD
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.
Also contains things like a few commands for command-line and bash scripting that can realllly
help you get off the ground if you haven't seen bash before.