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root/OpenMD/branches/devel_omp/src/parallel/ForceMatrixDecomposition.hpp
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Comparing:
branches/development/src/parallel/ForceMatrixDecomposition.hpp (file contents), Revision 1587 by gezelter, Fri Jul 8 20:25:32 2011 UTC vs.
branches/devel_omp/src/parallel/ForceMatrixDecomposition.hpp (file contents), Revision 1595 by chuckv, Tue Jul 19 18:50:04 2011 UTC

# Line 55 | Line 55 | namespace OpenMD {
55    
56    class ForceMatrixDecomposition : public ForceDecomposition {
57    public:
58 <    ForceMatrixDecomposition(SimInfo* info, InteractionManager* iMan) : ForceDecomposition(info, iMan) {};
58 >    ForceMatrixDecomposition(SimInfo* info, InteractionManager* iMan);
59  
60      void distributeInitialData();
61      void zeroWorkArrays();
# Line 66 | Line 66 | namespace OpenMD {
66  
67      // neighbor list routines
68      vector<pair<int, int> >  buildNeighborList();
69 +    // neighbor list routines based on Rapaport
70 +    vector<vector<int> > buildLayerBasedNeighborList();
71  
72      // group bookkeeping
73      groupCutoffs getGroupCutoffs(int cg1, int cg2);
# Line 116 | Line 118 | namespace OpenMD {
118      int nGroupsInRow_;
119      int nGroupsInCol_;
120  
121 <    Communicator<Row, int>* AtomCommIntRow;
122 <    Communicator<Row, RealType>* AtomCommRealRow;
121 <    Communicator<Row, Vector3d>* AtomCommVectorRow;
122 <    Communicator<Row, Mat3x3d>*  AtomCommMatrixRow;
123 <    Communicator<Row, potVec>* AtomCommPotRow;
121 >    Communicator<Row> rowComm;
122 >    Communicator<Column> colComm;
123  
124 <    Communicator<Column, int>* AtomCommIntColumn;
125 <    Communicator<Column, RealType>* AtomCommRealColumn;
126 <    Communicator<Column, Vector3d>* AtomCommVectorColumn;
127 <    Communicator<Column, Mat3x3d>*  AtomCommMatrixColumn;
128 <    Communicator<Column, potVec>* AtomCommPotColumn;
124 >    Plan<int>* AtomPlanIntRow;
125 >    Plan<RealType>* AtomPlanRealRow;
126 >    Plan<Vector3d>* AtomPlanVectorRow;
127 >    Plan<Mat3x3d>*  AtomPlanMatrixRow;
128 >    Plan<potVec>* AtomPlanPotRow;
129  
130 <    Communicator<Row, int>* cgCommIntRow;
131 <    Communicator<Row, Vector3d>* cgCommVectorRow;
132 <    Communicator<Column, int>* cgCommIntColumn;
133 <    Communicator<Column, Vector3d>* cgCommVectorColumn;
130 >    Plan<int>* AtomPlanIntColumn;
131 >    Plan<RealType>* AtomPlanRealColumn;
132 >    Plan<Vector3d>* AtomPlanVectorColumn;
133 >    Plan<Mat3x3d>*  AtomPlanMatrixColumn;
134 >    Plan<potVec>* AtomPlanPotColumn;
135  
136 +    Plan<int>* cgPlanIntRow;
137 +    Plan<Vector3d>* cgPlanVectorRow;
138 +    Plan<int>* cgPlanIntColumn;
139 +    Plan<Vector3d>* cgPlanVectorColumn;
140 +
141      // work arrays for assembling potential energy
142      vector<potVec> pot_row;
143      vector<potVec> pot_col;

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