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root/OpenMD/trunk/src/parallel/ForceMatrixDecomposition.hpp
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Comparing trunk/src/parallel/ForceMatrixDecomposition.hpp (file contents):
Revision 1895 by gezelter, Mon Jul 1 21:09:37 2013 UTC vs.
Revision 1930 by gezelter, Mon Aug 19 13:51:04 2013 UTC

# Line 70 | Line 70 | namespace OpenMD {
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 110 | Line 110 | namespace OpenMD {
110      vector<int> groupToGtype;
111  
112   #ifdef IS_MPI    
113 <    DataStorage atomRowData;    DataStorage atomColData;
113 >    DataStorage atomRowData;
114 >    DataStorage atomColData;
115      DataStorage cgRowData;
116      DataStorage cgColData;
117  
# Line 149 | Line 150 | namespace OpenMD {
150      vector<int> identsRow;
151      vector<int> identsCol;
152  
153 +    vector<int> regionsRow;
154 +    vector<int> regionsCol;
155 +
156      vector<AtomType*> atypesRow;
157      vector<AtomType*> atypesCol;
158  
# Line 173 | Line 177 | namespace OpenMD {
177  
178      vector<RealType> massFactorsRow;
179      vector<RealType> massFactorsCol;
180 +
181 +    vector<int> regionRow;
182 +    vector<int> regionCol;
183   #endif
184  
185    };

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