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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 1582 by gezelter, Tue Jun 14 20:41:44 2011 UTC vs.
Revision 1587 by gezelter, Fri Jul 8 20:25:32 2011 UTC

# Line 85 | Line 85 | namespace OpenMD {
85      // atom bookkeeping
86      int getNAtomsInRow();
87      int getTopologicalDistance(int atom1, int atom2);
88 <    vector<int> getSkipsForAtom(int atom1);
88 >    vector<int> getExcludesForAtom(int atom1);
89      bool skipAtomPair(int atom1, int atom2);
90 +    bool excludeAtomPair(int atom1, int atom2);
91      void addForceToAtomRow(int atom1, Vector3d fg);
92      void addForceToAtomColumn(int atom2, Vector3d fg);
93  
94      // filling interaction blocks with pointers
95      void fillInteractionData(InteractionData &idat, int atom1, int atom2);
96      void unpackInteractionData(InteractionData &idat, int atom1, int atom2);
96 –    void fillSkipData(InteractionData &idat, int atom1, int atom2);
97  
98    private:
99      void createGtypeCutoffMap();
100  
101      int nLocal_;
102      int nGroups_;
103 –    vector<int> identsLocal;
103      vector<int> AtomLocalToGlobal;
104      vector<int> cgLocalToGlobal;
105      vector<RealType> groupCutoff;
# Line 137 | Line 136 | namespace OpenMD {
136      // work arrays for assembling potential energy
137      vector<potVec> pot_row;
138      vector<potVec> pot_col;
140 –    potVec pot_local;
139  
140      vector<int> identsRow;
141      vector<int> identsCol;

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