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

Updated to qcio 0.10.2. Added release.py script. #38

Closed coltonbh closed 1 month ago