This project is a collective of tools for the preparation of input files and post-processing of output files from VASP.
Clone the repo to your preferred location:
git clone https://github.com/hprats/VaspIOTools.git
Add to your .bashrc file a PYTHONPATH to your repository, i.e.
export PYTHONPATH=path-to-your-repo/VaspIOTools:$PYTHONPATH
VaspIOTools relies on a few Python packages, please be sure to have available:
- numpy
- ase (atomic simulation environment)
- ... (TODO)