/MultirefPredict

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

Primary LanguagePythonBSD 3-Clause "New" or "Revised" LicenseBSD-3-Clause

MultirefPredict

Travis Build Status codecov Language grade: Python

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.