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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

Molden fix #38

Closed gayverjr closed 2 years ago

gayverjr commented 2 years ago

Bug fixes and PySCF CAP-EOM-EA-CCSD example.

Closes #36