Searched refs:GetRunType (Results 1 – 5 of 5) sorted by relevance
281 if (GetRunType() == G3MP2) result = -1; in GetMPLevel()814 Ele->addChildElement(CML_convert(MMP_IOCGRunType), GetGAMESSRunText(GetRunType())); in WriteXML()872 TypeOfRun t = GetRunType(); in WriteToFile()2965 if ((IData->Control->GetRunType() <= Energy) && GetMP2Prop()) { in WriteToFile()3229 if ((IData->Control->GetRunType() == HessianRun)|| in IsHessianGroupNeeded()3230 (IData->Control->GetRunType() == G3MP2)) result = true; in IsHessianGroupNeeded()3231 …else if ((IData->Control->GetRunType() == OptimizeRun)||(IData->Control->GetRunType() == SadPointR… in IsHessianGroupNeeded()3941 short runType = IData->Control->GetRunType(); in WriteToFile()
82 if (Basis && (Control->GetRunType() != G3MP2)) BasisTest = Basis->WriteToFile(buffer, lData); in WriteInputFile()
1739 return TmpInputRec->Control->GetRunType() != G3MP2; in ShowBasis()1745 return TmpInputRec->Control->GetRunType() == OptimizeRun || in ShowStatPoint()1746 TmpInputRec->Control->GetRunType() == SadPointRun || in ShowStatPoint()1747 TmpInputRec->Control->GetRunType() == G3MP2; in ShowStatPoint()1754 TmpInputRec->Control->GetRunType() == G3MP2; in ShowMP2Opts()1903 TypeOfRun runType = TmpInputRec->Control->GetRunType(); in SetupControlItems()2327 mMP2PropCheck->Enable((Energy==TmpInputRec->Control->GetRunType())); in SetupMP2OptsItems()2371 short RunType = TmpInputRec->Control->GetRunType(); in SetupStatPointItems()2485 wxString temp(ControlGroup::GetGAMESSRunText(TmpInputRec->Control->GetRunType()), wxConvUTF8); in SetupSummaryItems()3626 else if (TmpInputRec->Control->GetRunType() == 6) def = 0.2; in OnInitstepsizeEditUpdated()[all …]
2550 if (IRCRun==MainData->InputOptions->Control->GetRunType()) in OpenGAMESSlog()2552 if (DRCRun==MainData->InputOptions->Control->GetRunType()) in OpenGAMESSlog()2556 if (MainData->InputOptions->Control->GetRunType() == GLOBOPRun) in OpenGAMESSlog()2943 if ((MainData->InputOptions->Control->GetRunType()==4)|| in OpenGAMESSlog()2945 (MainData->InputOptions->Control->GetRunType()==6)) { in OpenGAMESSlog()2957 if (MainData->InputOptions->Control->GetRunType() == GLOBOPRun) in OpenGAMESSlog()3005 if (MainData->InputOptions->Control->GetRunType() == DRCRun) { in OpenGAMESSlog()3255 if (MainData->InputOptions->Control->GetRunType() == IRCRun) { in OpenGAMESSlog()3315 if (MainData->InputOptions->Control->GetRunType() == OptimizeRun) { in OpenGAMESSlog()3797 if ((MainData->InputOptions->Control->GetRunType()==4)|| in OpenGAMESSlog()[all …]
237 inline TypeOfRun GetRunType(void) const {return RunType;}; in GetRunType() function