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Mishima-syk / psikit

psi4+RDKit
BSD 3-Clause "New" or "Revised" License
93 stars 19 forks source link

Wrong RESP GRID? #49

Open mireklzicar opened 4 months ago

mireklzicar commented 4 months ago

Hi, shouldn't RESP use oeprop (connoly points surface) instead of cubeprop as in this repository? See also https://github.com/cdsgroup/resp/issues/21#issuecomment-2007621464