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root/OpenMD/trunk/src/parallel/ForceMatrixDecomposition.hpp
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Comparing trunk/src/parallel/ForceMatrixDecomposition.hpp (file contents):
Revision 1893 by gezelter, Wed Jun 19 17:19:07 2013 UTC vs.
Revision 1929 by gezelter, Mon Aug 19 13:12:00 2013 UTC

# Line 67 | Line 67 | namespace OpenMD {
67      void collectData();
68  
69      // neighbor list routines
70 <    vector<pair<int, int> >  buildNeighborList();
70 >    void buildNeighborList(vector<pair<int, int> >& neighborList);
71  
72      // group bookkeeping
73 <    groupCutoffs getGroupCutoffs(int cg1, int cg2);
73 >    void getGroupCutoffs(int &cg1, int &cg2, RealType &rcut, RealType &rcutsq, RealType &rlistsq);
74      Vector3d& getGroupVelocityColumn(int cg2);
75  
76      // Group->atom bookkeeping
# Line 149 | Line 149 | namespace OpenMD {
149      vector<int> identsRow;
150      vector<int> identsCol;
151  
152 +    vector<int> regionsRow;
153 +    vector<int> regionsCol;
154 +
155      vector<AtomType*> atypesRow;
156      vector<AtomType*> atypesCol;
157  

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