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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 1598 by mciznick, Wed Jul 27 14:26:53 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 97 | Line 98 | namespace OpenMD {
98      void fillInteractionData(InteractionData &idat, int atom1, int atom2);
99      void unpackInteractionData(InteractionData &idat, int atom1, int atom2);
100  
101 +    // memory reordering
102 +    void reorderGroupCutoffs(vector<int> &order);
103 +    void reorderPosition(vector<int> &order);
104 +    void reorderGroupList(vector<int> &order);
105 +    void reorderMemory(vector<vector<CutoffGroup *> > &H_c_l);
106 +
107    private:
108      void createGtypeCutoffMap();
109  

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