Searched refs:fElecTotalAnalytic (Results 1 – 2 of 2) sorted by relevance
229 fElecTotalAnalytic = double(WfDecl_.nElec); in Init()418 fElecTotalAnalytic = 0.; in AccFock()426 fElecTotalAnalytic += pCoeff[iCo] * Sh.pCo[iExp + Sh.nExp*iCo] * fDen; in AccFock()587 m_Log.Write(" {:<32}{:18.4e}\n", "Lost electrons", fElecTotal - fElecTotalAnalytic); in PrintEnergyContribs()
194 EnergyCoulomb, EnergyXc, fElecTotal, fElecTotalAnalytic; member