/qmpy

A suite of computational materials science tools.

Primary LanguageJavaScriptMIT LicenseMIT

qmpy

Build Status

A toolkit for storing crystal structure data, automating calculations, handing computational resources and performing thermodynamic analysis.

Install qmpy with pip or easy install:

pip install qmpy

or:

easy_install -U qmpy

For more complete documentation, see: http://oqmd.org/static/docs/index.html