A pure Python library designed to make it easy and quick to manipulate VASP files
VASPy is a pure Python library designed to make it easy and quick to manipulate VASP files.
You can use VASPy to manipulate VASP files in command lins or write your own python scripts to process VASP files and visualize VASP data.
In /scripts , there are some scripts written by me for daily use.
pip install vaspy
python setup.py install
If you want to use mayavi to visualize VASP data, it is recommened to install Canopy environment on your device instead of installing it manually.
After installing canopy, you can set corresponding aliases, for example:
alias canopy='/Users/<yourname>/Library/Enthought/Canopy/edm/envs/User/bin/python' alias canopy-pip='/Users/zjshao/Library/Enthought/Canopy/edm/envs/User/bin/pip' alias canopy-ipython='/Users/<yourname>/Library/Enthought/Canopy/edm/envs/User/bin/ipython' alias canopy-jupyter='/Users/<yourname>/Library/Enthought/Canopy/edm/envs/User/bin/jupyter'
Then you can install VASPy to canopy:
canopy-pip install vaspy