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A pure Python library designed to make it easy and quick to manipulate VASP files

Project description

Build Status Code Health https://codecov.io/gh/PytLab/VASPy/branch/master/graph/badge.svg platform versions

Introduction

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.

Installation

  1. Via pip(recommend):

    pip install vaspy
    
  2. Via easy_install:

    easy_install vaspy
    
  3. From source:

    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

Project details


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Filename, size & hash SHA256 hash help File type Python version Upload date
vaspy-0.8.10-py2.py3-none-any.whl (2.5 MB) Copy SHA256 hash SHA256 Wheel 3.5 May 13, 2018
vaspy-0.8.10.tar.gz (7.5 MB) Copy SHA256 hash SHA256 Source None May 13, 2018

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