No option to write FSAPT inputs in write_input.py

natedey / RINRUS

Residue Interaction Network ResidUe Selector

MIT License

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No option to write FSAPT inputs in write_input.py #53

Open dwappett opened 2 months ago

dwappett commented 2 months ago

It looks like there is currently no way to write psi4 FSAPT input files automatically. Need to add this functionality to fill the gap in the workflow for using F-SAPT rankings etc.