Searched refs:StatPt (Results 1 – 5 of 5) sorted by relevance
2431 if (TmpInputRec->StatPt->GetStatPoint()) { in SetupStatPointItems()2805 TmpInputRec->StatPt->InitData(); in OnDefaultsbuttonClick()2890 if(OldData->StatPt) { in OnRevertbuttonClick()2891 *(TmpInputRec->StatPt) = *(OldData->StatPt); in OnRevertbuttonClick()3538 TmpInputRec->StatPt->SetHessMethod(val); in OnInitHessRadioSelected()3581 TmpInputRec->StatPt->SetMaxSteps(t); in OnMaxstepcountEditUpdated()3628 TmpInputRec->StatPt->SetInitRadius(t); in OnInitstepsizeEditUpdated()3654 TmpInputRec->StatPt->SetMinRadius(t); in OnMinstepsizeEditUpdated()3673 TmpInputRec->StatPt->SetMaxRadius(t); in OnMaxstepsizeEditUpdated()3700 TmpInputRec->StatPt->SetModeFollow(t); in OnStatptModeEditUpdated()[all …]
86 if (StatPt) StatPt->WriteToFile(buffer, this); in WriteInputFile()
45 StatPt = new StatPtGroup; in InputData()57 StatPt = new StatPtGroup(Copy->StatPt); in InputData()79 if (StatPt) delete StatPt; in ~InputData()108 if (StatPt) { in WriteXML()109 StatPt->WriteXML(Ele); in WriteXML()162 if (StatPt == NULL) StatPt = new StatPtGroup; in ReadXML()163 if (StatPt) StatPt->ReadXML(child); in ReadXML()3232 if (IData->StatPt) { in IsHessianGroupNeeded()3233 if (IData->StatPt->GetHessMethod() == 3) result = true; in IsHessianGroupNeeded()3234 if (IData->StatPt->GetHessEndFlag()) result = true; in IsHessianGroupNeeded()
342 if (!MainData->InputOptions->StatPt) MainData->InputOptions->StatPt = new StatPtGroup; in OpenGAMESSInput()347 MainData->InputOptions->StatPt->SetOptConvergance(tempf); in OpenGAMESSInput()349 MainData->InputOptions->StatPt->SetMaxSteps(nAtoms); in OpenGAMESSInput()351 MainData->InputOptions->StatPt->SetMethod(token); in OpenGAMESSInput()353 MainData->InputOptions->StatPt->SetInitRadius(tempf); in OpenGAMESSInput()355 MainData->InputOptions->StatPt->SetMaxRadius(tempf); in OpenGAMESSInput()357 MainData->InputOptions->StatPt->SetMinRadius(tempf); in OpenGAMESSInput()359 MainData->InputOptions->StatPt->SetModeFollow(nAtoms); in OpenGAMESSInput()361 MainData->InputOptions->StatPt->SetStatPoint(BoolTest); in OpenGAMESSInput()363 MainData->InputOptions->StatPt->SetStatJump(tempf); in OpenGAMESSInput()[all …]
1122 StatPtGroup *StatPt; variable