PyOpenCAP is an open-source package aimed at extending the capabilities of electronic structure packages to describe metastable electronic states.
Currently supported electronic structure packages are:
Currently available features:
All PyOpenCAP wheels distributed on PyPi are MIT licensed.
FAQs
An open source package for metastable electronic states in molecules.
We found that pyopencap demonstrated a healthy version release cadence and project activity because the last version was released less than a year ago. It has 2 open source maintainers collaborating on the project.
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