Searched defs:getOrbitalIrrep (Results 1 – 3 of 3) sorted by relevance
116 int CheMPS2::DMRGSCFindices::getOrbitalIrrep(const int index) const{ return irrepOfEachOrbital[inde… in getOrbitalIrrep() function in CheMPS2::DMRGSCFindices
98 int CheMPS2::Hamiltonian::getOrbitalIrrep(const int nOrb) const{ return orb2irrep[nOrb]; } in getOrbitalIrrep() function in CheMPS2::Hamiltonian
83 def getOrbitalIrrep(self, int orb): member in PyHamiltonian