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Mishima-syk / psikit

psi4+RDKit
BSD 3-Clause "New" or "Revised" License
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PSIO_ERROR: 6 #10

Closed iwatobipen closed 5 years ago

iwatobipen commented 5 years ago

I got following error ‘PSIO_ERROR: 6 (file is already open)’ when I try to psi4.optimize() for multiple molecules in ‘for loop’.