Searched refs:betaHOMO (Results 1 – 3 of 3) sorted by relevance
1444 …aOrbitals(std::vector<double> energies, std::vector<std::string> symmetries, unsigned int betaHOMO) in LoadBetaOrbitals() argument1450 if (betaHOMO > energies.size()) in LoadBetaOrbitals()1453 _betaHOMO = betaHOMO; in LoadBetaOrbitals()1464 if (i < betaHOMO) in LoadBetaOrbitals()
951 …Orbitals(std::vector<double> energies, std::vector<std::string> symmetries, unsigned int betaHOMO);
11482 …R_swig_OBOrbitalData_LoadBetaOrbitals ( SEXP self, SEXP energies, SEXP symmetries, SEXP betaHOMO) { in R_swig_OBOrbitalData_LoadBetaOrbitals() argument11496 …arg3 = *ptr; if (SWIG_IsNewObj(res)) delete ptr; } arg4 = static_cast< int >(INTEGER(betaHOMO)[0]… in R_swig_OBOrbitalData_LoadBetaOrbitals()