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coltonbh / 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
3 stars 3 forks source link

Upgraded to qcio 0.11.0. #42

Closed coltonbh closed 1 month ago