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quantumlib / OpenFermion-PySCF

OpenFermion plugin to interface with the electronic structure package PySCF.
Apache License 2.0
105 stars 44 forks source link

Bring OF-psi4 into compliance with OF reorg #51

Closed ncrubin closed 3 years ago

ncrubin commented 4 years ago

OF-psi4 now correctly imports MolecularData

gitignore is updated to ignore pycharm files

obriente commented 4 years ago

As far as I can tell one of the checks here is failing because we're requiring an old version of openfermion, and the other is failing because of a missing file in dev-tools. I think that importing direct from openfermion instead of chem or hamiltonians might be a better solution to the first problem than just updating the requirements. No idea what the second file is though...