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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 1549 by gezelter, Wed Apr 27 18:38:15 2011 UTC vs.
Revision 1568 by gezelter, Wed May 25 16:20:37 2011 UTC

# Line 42 | Line 42
42   #ifndef PARALLEL_FORCEMATRIXDECOMPOSITION_HPP
43   #define PARALLEL_FORCEMATRIXDECOMPOSITION_HPP
44  
45 < #include "Parallel/ForceDecomposition.hpp"
45 > #include "parallel/ForceDecomposition.hpp"
46   #include "math/SquareMatrix3.hpp"
47 + #include "brains/Snapshot.hpp"
48  
49   #ifdef IS_MPI
50 < #include "Parallel/Communicator.hpp"
50 > #include "parallel/Communicator.hpp"
51   #endif
52  
53   using namespace std;
# Line 54 | Line 55 | namespace OpenMD {
55    
56    class ForceMatrixDecomposition : public ForceDecomposition {
57    public:
58 <    ForceMatrixDecomposition(SimInfo* info) : ForceDecomposition(info) {sman_ = info_->getSnapshotManager();}
58 >    ForceMatrixDecomposition(SimInfo* info) : ForceDecomposition(info) {};
59 >
60      void distributeInitialData();
61      void distributeData();
62      void collectIntermediateData();
# Line 62 | Line 64 | namespace OpenMD {
64      void collectData();
65  
66      // neighbor list routines
65 –    bool checkNeighborList();
67      vector<pair<int, int> >  buildNeighborList();
68  
69      // group bookkeeping
# Line 90 | Line 91 | namespace OpenMD {
91      // filling interaction blocks with pointers
92      InteractionData fillInteractionData(int atom1, int atom2);
93      InteractionData fillSkipData(int atom1, int atom2);
93 –    SelfData fillSelfData(int atom1);
94  
95    private:
96 <    SnapshotManager* sman_;    
96 >    int nLocal_;
97 >    int nGroups_;
98 >
99   #ifdef IS_MPI    
100 +    DataStorage atomRowData;
101 +    DataStorage atomColData;
102 +    DataStorage cgRowData;
103 +    DataStorage cgColData;
104 +
105 +    int nAtomsInRow_;
106 +    int nAtomsInCol_;
107 +    int nGroupsInRow_;
108 +    int nGroupsInCol_;
109 +
110      Communicator<Row, int>* AtomCommIntRow;
111      Communicator<Row, RealType>* AtomCommRealRow;
112      Communicator<Row, Vector3d>* AtomCommVectorRow;
# Line 121 | Line 133 | namespace OpenMD {
133      vector<int> cgLocalToGlobal;
134      vector<int> cgRowToGlobal;
135      vector<int> cgColToGlobal;
136 +
137 +    vector<vector<int> > cellListRow_;
138 +    vector<vector<int> > cellListCol_;
139   #endif
140      vector<RealType> pot_local;
141 +
142    };
143  
144   }

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