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root/OpenMD/trunk/src/selection/DistanceFinder.cpp
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Comparing trunk/src/selection/DistanceFinder.cpp (file contents):
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC vs.
Revision 1801 by gezelter, Mon Oct 1 18:21:15 2012 UTC

# Line 57 | Line 57 | namespace OpenMD {
57      RigidBody* rb;
58  
59      
60 <    for (mol = info_->beginMolecule(mi); mol != NULL; mol = info_->nextMolecule(mi)) {
60 >    for (mol = info_->beginMolecule(mi); mol != NULL;
61 >         mol = info_->nextMolecule(mi)) {
62          
63 <      for(atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) {
63 >      for(atom = mol->beginAtom(ai); atom != NULL;
64 >          atom = mol->nextAtom(ai)) {
65          stuntdoubles_[atom->getGlobalIndex()] = atom;
66        }
67  
68 <      for (rb = mol->beginRigidBody(rbIter); rb != NULL; rb = mol->nextRigidBody(rbIter)) {
68 >      for (rb = mol->beginRigidBody(rbIter); rb != NULL;
69 >           rb = mol->nextRigidBody(rbIter)) {
70          stuntdoubles_[rb->getGlobalIndex()] = rb;
71        }
72 <        
70 <    }    
71 <
72 >    }
73    }
74  
75    OpenMDBitSet DistanceFinder::find(const OpenMDBitSet& bs, RealType distance) {
# Line 85 | Line 86 | namespace OpenMD {
86        }
87      }
88    
89 +    // This will fail in parallel because i might not be on this processor.
90 +
91      for (int i = bs.firstOnBit(); i != -1; i = bs.nextOnBit(i)) {
92        center = stuntdoubles_[i];
93        centerPos = center->getPos();

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