| version 1.1046 | version 1.1047 |
|---|
| |
| Patch::Patch(PatchID pd) : | Patch::Patch(PatchID pd) : |
| lattice(flags.lattice), | lattice(flags.lattice), |
| patchID(pd), numAtoms(0), numFixedAtoms(0), | patchID(pd), numAtoms(0), numFixedAtoms(0), |
| positionPtrBegin(0), avgPositionPtrBegin(0), | avgPositionPtrBegin(0), avgPositionPtrEnd(0), |
| positionPtrEnd(0), avgPositionPtrEnd(0), | |
| positionBox(this,&Patch::positionBoxClosed), | positionBox(this,&Patch::positionBoxClosed), |
| avgPositionBox(this,&Patch::avgPositionBoxClosed), | avgPositionBox(this,&Patch::avgPositionBoxClosed), |
| forceBox(this,&Patch::forceBoxClosed), | forceBox(this,&Patch::forceBoxClosed), |
| |
| ,numWaterAtoms(-1) | ,numWaterAtoms(-1) |
| #endif | #endif |
| { | { |
| | #ifdef REMOVE_PROXYDATAMSG_EXTRACOPY |
| | positionPtrBegin = 0; |
| | positionPtrEnd = 0; |
| | #endif |
| lattice = Node::Object()->simParameters->lattice; | lattice = Node::Object()->simParameters->lattice; |
| } | } |
| | |
| |
| DebugM(4,"Patch::positionsReady() - patchID(" << patchID <<")"<<std::endl ); | DebugM(4,"Patch::positionsReady() - patchID(" << patchID <<")"<<std::endl ); |
| ComputeMap *computeMap = ComputeMap::Object(); | ComputeMap *computeMap = ComputeMap::Object(); |
| | |
| if ( doneMigration ) AtomMap::Object()->registerIDs(patchID,positionPtrBegin,positionPtrEnd); | if ( doneMigration ){ |
| | #ifdef REMOVE_PROXYDATAMSG_EXTRACOPY |
| | AtomMap::Object()->registerIDs(patchID,positionPtrBegin,positionPtrEnd); |
| | #else |
| | AtomMap::Object()->registerIDs(patchID,p.begin(),p.end()); |
| | #endif |
| | } |
| | |
| boxesOpen = 2; | boxesOpen = 2; |
| if ( flags.doMolly ) boxesOpen++; | if ( flags.doMolly ) boxesOpen++; |
| |
| | |
| // Give all position pickup boxes access to positions | // Give all position pickup boxes access to positions |
| //positionPtrBegin = p.begin(); | //positionPtrBegin = p.begin(); |
| | #ifdef REMOVE_PROXYDATAMSG_EXTRACOPY |
| positionBox.open(positionPtrBegin,numAtoms,&lattice); | positionBox.open(positionPtrBegin,numAtoms,&lattice); |
| | #else |
| | positionBox.open(p.begin(),numAtoms,&lattice); |
| | #endif |
| if ( flags.doMolly ) { | if ( flags.doMolly ) { |
| //avgPositionPtrBegin = p_avg.begin(); | //avgPositionPtrBegin = p_avg.begin(); |
| avgPositionBox.open(avgPositionPtrBegin,numAtoms,&lattice); | avgPositionBox.open(avgPositionPtrBegin,numAtoms,&lattice); |