Home
last modified time | relevance | path

Searched refs:IsFMOActive (Results 1 – 4 of 4) sorted by relevance

/dports/science/wxmacmolplt/wxmacmolplt-7.7-43-g9a46f7a/src/
H A DInputData.cpp2185 if (! MainData->InputOptions->FMO.IsFMOActive()) { in WriteToFile()
2312 if (MainData->InputOptions->FMO.IsFMOActive()) { in WriteToFile()
3744 if (!IsFMOActive()) return; in WriteToFile()
3796 if (IsFMOActive() || (GetNumberFragments()>1)) { in WriteXML()
3799 Ele->addBoolAttribute(CML_convert(MMP_IOFMOActiveFlag), IsFMOActive()); in WriteXML()
H A DInputData.h1081 inline bool IsFMOActive(void) const {return Active;}; in IsFMOActive() function
H A DFiles.cpp438 if (MainData->InputOptions->FMO.IsFMOActive()) nAtoms=0; //FMO coordinates are in $FMOXYZ in OpenGAMESSInput()
499 if (MainData->InputOptions->FMO.IsFMOActive() && Buffer->FindGroup("FMOXYZ")) { in OpenGAMESSInput()
753 if (MainData->InputOptions->FMO.IsFMOActive()) { in OpenGAMESSInput()
H A Dinputbuilder.cpp2154 if (TmpInputRec->FMO.IsFMOActive()) { in SetupFMOItems()
2737 if (TmpInputRec->FMO.IsFMOActive()) { in SaveData()