Searched refs:GetQMTotalCharge (Results 1 – 5 of 5) sorted by relevance
175 charge[n1] = su->GetModel()->GetQMTotalCharge() / (fGL) atom_counter; in DoPopAna()
294 i32s GetQMTotalCharge(void) { return qm_total_charge; } in GetQMTotalCharge() function
93 file << "CHARGE=" << GetSetup()->GetModel()->GetQMTotalCharge() << " "; in eng1_qm_mopac()
242 file << " total_charge = " << GetSetup()->GetModel()->GetQMTotalCharge() << endl; in WriteInputFile()
176 str.setf(ios::showpos); str << prj->GetQMTotalCharge() << ends; in gtk_setup_dialog()