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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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[Add TeraChem Optimization] CalcType
#28
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coltonbh
opened
4 months ago
coltonbh
commented
4 months ago
Depends on:
https://github.com/coltonbh/qcparse/issues/14
Depends on: https://github.com/coltonbh/qcparse/issues/14