scripts

A collection of scripts. Mostly computational chemistry.

Installation

cd
git clone [email protected]:schneiderfelipe/scripts.git

(If you clone this repository not your home directory, please also run something like cd; ln -s /path/to/scripts ..)

Now add the following lines to your ~/.bashrc (or, if you use Zsh, ~/.zshrc):

export SCRIPTS=~/scripts
source $SCRIPTS/config_env.sh

Scripts

• interact.py
• irc.py
• metadyn.py
• rmsd.py
• swing.py
• wavejam.py
• interp.py
• itp.py
• minimize.py
• shuffle.py
• uvvis.py