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Suite of computational materials science tools

Project description

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A toolkit for storing crystal structure data, automating density-functional calculations, handling computational resources and performing thermodynamic analysis. qmpy is used to run and maintain the Open Quantum Materials Database ([oqmd.org](http://www.oqmd.org)).

Install qmpy with pip:

pip install qmpy

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

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