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Searched refs:GAMESS_MCSCF (Results 1 – 3 of 3) sorted by relevance

/dports/science/wxmacmolplt/wxmacmolplt-7.7-43-g9a46f7a/src/
H A DFiles.cpp2526 …if (MainData->InputOptions->Control->GetSCFType()==GAMESS_MCSCF) { //Calculate the # of occupied M… in OpenGAMESSlog()
2966 …if (MainData->InputOptions->Control->GetSCFType()==GAMESS_MCSCF) { //Calculate the # of occupied M… in OpenGAMESSlog()
3051 if (MainData->InputOptions->Control->GetSCFType()==GAMESS_MCSCF) { in OpenGAMESSlog()
3192 if ((MainData->InputOptions->Control->GetSCFType()==GAMESS_MCSCF)&& in OpenGAMESSlog()
3461 if (MainData->InputOptions->Control->GetSCFType()==GAMESS_MCSCF) { in OpenGAMESSlog()
3617 if (MainData->InputOptions->Control->GetSCFType()==GAMESS_MCSCF) in OpenGAMESSlog()
3620 if (MainData->InputOptions->Control->GetSCFType()==GAMESS_MCSCF) in OpenGAMESSlog()
3639 if (MainData->InputOptions->Control->GetSCFType()==GAMESS_MCSCF) { in OpenGAMESSlog()
3656 if (MainData->InputOptions->Control->GetSCFType() != GAMESS_MCSCF) { in OpenGAMESSlog()
3690 if (MainData->InputOptions->Control->GetSCFType() != GAMESS_MCSCF) { in OpenGAMESSlog()
H A DInputData.h128 GAMESS_MCSCF, enumerator
H A DInputData.cpp245 case GAMESS_MCSCF: in GAMESSSCFTypeToText()
276 else if ((SCFType==GAMESS_MCSCF)&& in GetMPLevel()