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qmpy

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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

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A suite of computational materials science tools.

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  • JavaScript 89.4%
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