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coltonbh
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qcop
A package for operating Quantum Chemistry programs using qcio standardized data structures. Compatible with TeraChem, psi4, QChem, NWChem, ORCA, Molpro, geomeTRIC and many more.
MIT License
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Updated pydantic from v1 -> v2.
#5
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coltonbh
closed
1 year ago