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Mishima-syk / psikit

psi4+RDKit
BSD 3-Clause "New" or "Revised" License
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pk = Psikit() error? #24

Closed HadXu closed 5 years ago

HadXu commented 5 years ago 
>>> from psikit import Psikit
>>> pk = Psikit()
terminate called after throwing an instance of 'std::bad_cast'
  what():  std::bad_cast
Aborted (core dumped)
kzfm commented 5 years ago

Hi ZhenLei,

I guess that error comes from the initialization of psi4. What version of psi4 do you use? And does your psi4 works well?

HadXu commented 5 years ago

ok, solved, thank you~