Searched refs:fElecTotal (Results 1 – 3 of 3) sorted by relevance
| /dports/science/iboview/ibo-view.20150427/src/MicroScf/ |
| H A D | CtFockBuild.cpp | 216 fElecTotal = 0.; in FFockComponentBuilderDfCoulXcCached()
499 g_fThrOrb, MakeLogThrOrb(g_fThrOrb), 0, &fElecTotal // 1e-1 * ThrDen? in AccFock()
564 g_fThrOrb, MakeLogThrOrb(g_fThrOrb), 0, &fElecTotal // 1e-1 * ThrDen? in AccFock()
587 m_Log.Write(" {:<32}{:18.4e}\n", "Lost electrons", fElecTotal - fElecTotalAnalytic); in PrintEnergyContribs()
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| H A D | CtFockBuild.h | 194 EnergyCoulomb, EnergyXc, fElecTotal, fElecTotalAnalytic; member
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| /dports/science/iboview/ibo-view.20150427/src/IboView/ |
| H A D | IvDocument.cpp | 2002 fElecTotal = 0., in MakeReport() local
2049 fElecTotal += fAtomTotal; in MakeReport()
2080 out.write(pChargeFmtF, fElecTotal); in MakeReport()
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