General scripts and software for everyday computational chemistry. Folder names are designed to be self explanatory but just in case we have:

build - contains scripts to build stuff

run - contains example runtime scripts

analyse - contains scripts for post-processing

If you want to contribute, great! Here are excellent resources on:

• best programming practice: https://gist.github.com/sloria/7001839.
• commenting: https://realpython.com/python-comments-guide/

Be sure to also add your name to the AUTHORS file so you get the credit deserved.