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Mishima-syk / psikit

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

MO rendering #16

Closed iwatobipen closed 5 years ago

iwatobipen commented 5 years ago

It is nice that cube files of ESP, DUAL_DESCRIPTOR, Dt and frontier orbitals are generated at once.

iwatobipen commented 5 years ago

Done!