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Suite of computational materials science tools

Project description

[ ![Build Status]( ]( [ ![PyPI version]( ](

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 ([](

Install qmpy with pip:

pip install qmpy

For more complete documentation, see:

Project details

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Files for qmpy, version 1.4.0
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