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root/OpenMD/branches/devel_omp/src/parallel/ForceMatrixDecomposition.hpp
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Comparing branches/devel_omp/src/parallel/ForceMatrixDecomposition.hpp (file contents):
Revision 1595 by chuckv, Tue Jul 19 18:50:04 2011 UTC vs.
Revision 1614 by mciznick, Tue Aug 23 20:55:51 2011 UTC

# Line 67 | Line 67 | namespace OpenMD {
67      // neighbor list routines
68      vector<pair<int, int> >  buildNeighborList();
69      // neighbor list routines based on Rapaport
70 <    vector<vector<int> > buildLayerBasedNeighborList();
70 >    vector<vector<CutoffGroup *> > buildLayerBasedNeighborList();
71  
72      // group bookkeeping
73      groupCutoffs getGroupCutoffs(int cg1, int cg2);
# Line 82 | Line 82 | namespace OpenMD {
82  
83      // spatial data
84      Vector3d getIntergroupVector(int cg1, int cg2);
85 +    Vector3d getIntergroupVector(CutoffGroup *cg1, CutoffGroup *cg2);
86      Vector3d getInteratomicVector(int atom1, int atom2);
87        
88      // atom bookkeeping
# Line 95 | Line 96 | namespace OpenMD {
96  
97      // filling interaction blocks with pointers
98      void fillInteractionData(InteractionData &idat, int atom1, int atom2);
99 +    void fillInteractionDataOMP(InteractionDataPrv &idat, int atom1, int atom2);
100      void unpackInteractionData(InteractionData &idat, int atom1, int atom2);
101  
102 +    void unpackInteractionDataOMP(InteractionDataPrv &idat, int atom1, int atom2);
103 +
104 +    // memory reordering
105 +    void reorderGroupCutoffs(vector<int> &order);
106 +    void reorderPosition(vector<int> &order);
107 +    void reorderGroupList(vector<int> &order);
108 +    void reorderMemory(vector<vector<CutoffGroup *> > &H_c_l);
109 +
110    private:
111      void createGtypeCutoffMap();
112  
# Line 107 | Line 117 | namespace OpenMD {
117      vector<RealType> groupCutoff;
118      vector<int> groupToGtype;
119  
120 +    /* XXX */
121 +    int neighborListReorderFreq;
122 +    int reorderFreqCounter;
123 +
124   #ifdef IS_MPI    
125      DataStorage atomRowData;
126      DataStorage atomColData;

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