Added xtb adapter. - Githubissues

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

Added xtb adapter. #22

Closed coltonbh closed 5 months ago