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Automated workflow to predict multireference character of molecules in quantum chemistry calculation
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MultirefPredict
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README.md

MultirefPredict

Travis Build Status codecov Language grade: Python Documentation Status

Automated workflow to predict multireference character of molecules in quantum chemistry calculation

Copyright

Copyright (c) 2019, Kulik group at MIT

Acknowledgements

Project based on the Computational Molecular Science Python Cookiecutter version 1.0.

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