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root/group/trunk/OOPSE/libmdtools/SimInfo.cpp
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Comparing trunk/OOPSE/libmdtools/SimInfo.cpp (file contents):
Revision 1198 by tim, Thu May 27 00:48:12 2004 UTC vs.
Revision 1203 by gezelter, Thu May 27 18:59:17 2004 UTC

# Line 445 | Line 445 | void SimInfo::refreshSim(){
445    excl = excludes->getFortranArray();
446    
447   #ifdef IS_MPI
448 <  n_global = mpiSim->getTotAtoms();
448 >  n_global = mpiSim->getNAtomsGlobal();
449   #else
450    n_global = n_atoms;
451   #endif
# Line 601 | Line 601 | void getFortranGroupArray(SimInfo* info, vector<double
601        for(cutoffAtom = myCutoffGroup->beginAtom(iterAtom); cutoffAtom != NULL;
602                                             cutoffAtom = myCutoffGroup->nextAtom(iterAtom)){
603          mfact.push_back(cutoffAtom->getMass()/totalMass);
604 + #ifdef IS_MPI        
605 +        groupList.push_back(cutoffAtom->getGlobalIndex() + 1);
606 + #else
607          groupList.push_back(cutoffAtom->getIndex() + 1);
608 + #endif
609        }  
610                                
611        groupStart.push_back(curIndex);
# Line 613 | Line 617 | void getFortranGroupArray(SimInfo* info, vector<double
617  
618  
619    //The last cutoff group need more element to indicate the end of the cutoff
620 <  groupStart.push_back(curIndex);
617 <  ngroup = groupStart.size() - 1;
620 >  ngroup = groupStart.size();
621   }

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