Why psikit say "Psi4 already initialized."?

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

A warning message display on my terminal every time when I run the psikit.

iwatobipen commented 5 years ago

Removed 'self.psi4.core.initialize()' code from psikit.py. The warning massage will disappear. Sorry for troubling you.