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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 1569 by gezelter, Thu May 26 13:55:04 2011 UTC vs.
Revision 1570 by gezelter, Thu May 26 21:56:04 2011 UTC

# Line 82 | Line 82 | namespace OpenMD {
82      Vector3d getInteratomicVector(int atom1, int atom2);
83        
84      // atom bookkeeping
85 <    vector<int> getAtomList();
86 <    vector<int> getSkipsForAtom(int atom1);
85 >    int getNAtomsInRow();
86 >    vector<int> getSkipsForRowAtom(int atom1);
87 >    int getTopoDistance(int atom1, int atom2);
88      bool skipAtomPair(int atom1, int atom2);
89      void addForceToAtomRow(int atom1, Vector3d fg);
90      void addForceToAtomColumn(int atom2, Vector3d fg);
# Line 99 | Line 100 | namespace OpenMD {
100      vector<int> cgLocalToGlobal;
101      vector<RealType> pot_local;
102      vector<RealType> massFactorsLocal;
103 +    vector<vector<int> > skipsForLocalAtom;
104 +    vector<vector<int> > toposForLocalAtom;
105 +    vector<vector<int> > topoDistLocal;
106  
107   #ifdef IS_MPI    
108      DataStorage atomRowData;
# Line 147 | Line 151 | namespace OpenMD {
151      vector<RealType> massFactorsRow;
152      vector<RealType> massFactorsCol;
153  
154 +    vector<vector<int> > skipsForRowAtom;
155 +    vector<vector<int> > toposForRowAtom;
156 +    vector<vector<int> > topoDistRow;
157 +
158 +
159   #endif
160  
161    };

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