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root/group/trunk/OOPSE/libmdtools/SimSetup.cpp
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Comparing trunk/OOPSE/libmdtools/SimSetup.cpp (file contents):
Revision 490 by gezelter, Fri Apr 11 15:16:59 2003 UTC vs.
Revision 491 by mmeineke, Fri Apr 11 18:46:37 2003 UTC

# Line 298 | Line 298 | void SimSetup::createSim( void ){
298    simnfo->n_torsions = tot_torsions;
299    simnfo->n_SRI = tot_SRI;
300    simnfo->n_mol = tot_nmol;
301 +  
302    simnfo->molMembershipArray = new int[tot_atoms];
303  
304   #ifdef IS_MPI
# Line 347 | Line 348 | void SimSetup::createSim( void ){
348    }
349    local_SRI = local_bonds + local_bends + local_torsions;
350    
350  if (worldRank != 0) {
351    for (i =0; i < tot_atoms; i++){
352      std::cerr << "i = " << i << " molMembershipArray[i] = " << simnfo->molMembershipArray[i] << "\n";
353    }
354  }
355
351    simnfo->n_atoms = mpiSim->getMyNlocal();  
352    
353    if( local_atoms != simnfo->n_atoms ){

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