ComputeScripts
Bash scripts handling data for various computational chemistry packages (VASP, Gaussian09, Gromacs, Lammps).
Credits
ComputeScripts was created by Jianming Chen during his academic work in Prof. Zhigang Shuai's group.
License
Copyright 2008-2016 Jianming Chen under the MIT license. See the LICENSE file for more detailed information.