search

polyluxus / runxtb.bash

wrapper for the extended tight-binding semi-empirical program package xtb
GNU General Public License v3.0
2 stars 3 forks source link

added configuration script #14

Closed polyluxus closed 6 years ago

polyluxus commented 6 years ago

Editing the configuration file was yesterday, the new script now makes this a little bit easier.