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scripts

A collection of scripts. Mostly computational chemistry.

Installation

cd
git clone git@github.com: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