Comparing charge calculation methods

Mishima-syk / psikit

psi4+RDKit

BSD 3-Clause "New" or "Revised" License

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Closed kzfm closed 5 years ago

kzfm commented 5 years ago

Please use the same molecule for calculating RESP/Mulliken/Lowdin charge.

iwatobipen commented 5 years ago

I did it