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root/OpenMD/trunk/src/parallel/ForceMatrixDecomposition.hpp
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Comparing branches/development/src/parallel/ForceMatrixDecomposition.hpp (file contents):
Revision 1575 by gezelter, Fri Jun 3 21:39:49 2011 UTC vs.
Revision 1576 by gezelter, Wed Jun 8 16:05:07 2011 UTC

# Line 68 | Line 68 | namespace OpenMD {
68      vector<pair<int, int> >  buildNeighborList();
69  
70      // group bookkeeping
71 <    pair<int, int> getGroupTypes(int cg1, int cg2);
71 >    groupCutoffs getGroupCutoffs(int cg1, int cg2);
72  
73      // Group->atom bookkeeping
74      vector<int> getAtomsInGroupRow(int cg1);
# Line 96 | Line 96 | namespace OpenMD {
96      InteractionData fillSkipData(int atom1, int atom2);
97  
98    private:
99 +    void createGtypeCutoffMap();
100 +
101      int nLocal_;
102      int nGroups_;
103      vector<int> identsLocal;
# Line 105 | Line 107 | namespace OpenMD {
107      vector<vector<int> > skipsForLocalAtom;
108      vector<vector<int> > toposForLocalAtom;
109      vector<vector<int> > topoDistLocal;
110 +    vector<RealType> groupCutoff;
111 +    vector<int> groupToGtype;
112  
113   #ifdef IS_MPI    
114      DataStorage atomRowData;
# Line 151 | Line 155 | namespace OpenMD {
155      vector<int> cgRowToGlobal;
156      vector<int> cgColToGlobal;
157  
158 +    vector<RealType> groupCutoffRow;
159 +    vector<RealType> groupCutoffCol;
160 +    vector<int> groupColToGtype;
161 +    vector<int> groupRowToGtype;
162 +
163      vector<vector<int> > cellListRow_;
164      vector<vector<int> > cellListCol_;
165  

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