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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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Upgraded to qcio 0.11.0.
#42
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coltonbh
closed
1 month ago