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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

Update example for eomea with pyscf #53

Closed gayverjr closed 4 weeks ago

gayverjr commented 7 months ago

Closes https://github.com/gayverjr/opencap/issues/52

gayverjr commented 7 months ago

@gorachand-das

I have confirmed that your code works; thank you for the contribution!