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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 1579 by gezelter, Thu Jun 9 20:26:29 2011 UTC vs.
Revision 1583 by gezelter, Thu Jun 16 22:00:08 2011 UTC

# Line 91 | Line 91 | namespace OpenMD {
91      void addForceToAtomColumn(int atom2, Vector3d fg);
92  
93      // filling interaction blocks with pointers
94 <    InteractionData fillInteractionData(int atom1, int atom2);
95 <    void unpackInteractionData(InteractionData idat, int atom1, int atom2);
96 <    InteractionData fillSkipData(int atom1, int atom2);
94 >    void fillInteractionData(InteractionData &idat, int atom1, int atom2);
95 >    void unpackInteractionData(InteractionData &idat, int atom1, int atom2);
96 >    void fillSkipData(InteractionData &idat, int atom1, int atom2);
97 >    void unpackSkipData(InteractionData &idat, int atom1, int atom2);
98  
99    private:
100      void createGtypeCutoffMap();
101  
102      int nLocal_;
103      int nGroups_;
103 –    vector<int> identsLocal;
104      vector<int> AtomLocalToGlobal;
105      vector<int> cgLocalToGlobal;
106 –    vector<RealType> massFactorsLocal;
106      vector<RealType> groupCutoff;
107      vector<int> groupToGtype;
108  
# Line 138 | Line 137 | namespace OpenMD {
137      // work arrays for assembling potential energy
138      vector<potVec> pot_row;
139      vector<potVec> pot_col;
141 –    potVec pot_local;
140  
141      vector<int> identsRow;
142      vector<int> identsCol;

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