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root/OpenMD/trunk/src/selection/NameFinder.cpp
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Comparing trunk/src/selection/NameFinder.cpp (file contents):
Revision 1961 by gezelter, Thu Dec 5 18:19:26 2013 UTC vs.
Revision 1962 by gezelter, Wed Jan 15 22:26:18 2014 UTC

# Line 110 | Line 110 | namespace OpenMD {
110          molNode->bs.bitsets_[STUNTDOUBLE].setBitOn(rb->getGlobalIndex());
111          rbNode->bs.bitsets_[STUNTDOUBLE].setBitOn(rb->getGlobalIndex());
112  
113 <        //create nodes for atoms belong to this rigidbody
114 <        for(atom = rb->beginAtom(ai); atom != NULL; atom = rb->nextAtom(ai)) {
115 <          std::string rbAtomName = atom->getType();
116 <          TreeNode* rbAtomNode = createNode(rbNode, rbAtomName);
113 >        // COMMENTED OUT because rigid bodies are IntegrableObjects
114 >        // (e.g. they are independently mobile, so selecting their
115 >        // member atoms will give some odd results if we are computing
116 >        // degrees of freedom elsewhere.
117  
118 <          rbAtomNode->bs.bitsets_[STUNTDOUBLE].setBitOn(atom->getGlobalIndex());
119 <        }
118 >        // //create nodes for atoms belong to this rigidbody
119 >        // for(atom = rb->beginAtom(ai); atom != NULL; atom = rb->nextAtom(ai)) {
120 >        //   std::string rbAtomName = atom->getType();
121 >        //   TreeNode* rbAtomNode = createNode(rbNode, rbAtomName);
122 >
123 >        //   rbAtomNode->bs.bitsets_[STUNTDOUBLE].setBitOn(atom->getGlobalIndex());
124 >        // }
125        }
126  
127        for (bond = mol->beginBond(bondIter); bond != NULL;

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