Searched refs:fOcc1 (Results 1 – 2 of 2) sorted by relevance
387 FBasisSet *pMinBasis, std::string const sGrp, double fOcc1, FPrintOrbitalOptions &Opt, in PrintOrbitalChargeComposition() argument402 MakeIaoChargesRaw(Charges, fOcc1, &CIbOcc(0,iOrb), pMinBasis, pAtoms); in PrintOrbitalChargeComposition()
2163 fOcc1 = 1.; in MakeIaoCharges() local2165 fOcc1 = info.fOcc; in MakeIaoCharges()2180 Out[Sh.iCenter] += fOcc1 * fChg; in MakeIaoCharges()