Enum QuantumChemistryProgram¶

Defined in File util.h

Enum Documentation¶

enum class util::QuantumChemistryProgram : std::uint8_t¶

Enumeration of supported quantum chemistry programs.

Values:

enumerator Unknown¶

enumerator Gaussian¶

enumerator Orca¶

enumerator Gamess¶

enumerator Nwchem¶

enumerator Cp2k¶

enumerator Xtb¶

enumerator Vasp¶

enumerator Otm¶

enumerator QChem¶