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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
21 stars 7 forks source link

Custom grids for CAP #25

Closed gayverjr closed 2 years ago

gayverjr commented 3 years ago

https://github.com/dftlibs/numgrid

Their Python API should make this doable