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gayverjr / opencap

An open source program for the description of metastable electronic states in molecules.
https://gayverjropencap.readthedocs.io/en/latest/index.html
MIT License
19 stars 7 forks source link

Custom python CAP functions #24

Closed gayverjr closed 2 years ago

gayverjr commented 3 years ago

Should be doable in pybind: https://pybind11.readthedocs.io/en/stable/advanced/cast/functional.html