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class ForceMatrixDecomposition : public ForceDecomposition { |
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public: |
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< |
ForceMatrixDecomposition(SimInfo* info) : ForceDecomposition(info) {sman_ = info_->getSnapshotManager();} |
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> |
ForceMatrixDecomposition(SimInfo* info) : ForceDecomposition(info) {}; |
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> |
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void distributeInitialData(); |
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void distributeData(); |
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void collectIntermediateData(); |
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void collectData(); |
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// neighbor list routines |
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– |
bool checkNeighborList(); |
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vector<pair<int, int> > buildNeighborList(); |
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// group bookkeeping |
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// filling interaction blocks with pointers |
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InteractionData fillInteractionData(int atom1, int atom2); |
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InteractionData fillSkipData(int atom1, int atom2); |
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– |
SelfData fillSelfData(int atom1); |
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private: |
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– |
SnapshotManager* sman_; |
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– |
Snapshot* snap_; |
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int storageLayout_; |
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vector<Vector3i> Cells; |
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int nLocal_; |
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int nGroups_; |
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vector<int> cgRowToGlobal; |
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vector<int> cgColToGlobal; |
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< |
vector<vector<int> > CellListRow; |
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< |
vector<vector<int> > CellListCol; |
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< |
#else |
146 |
< |
vector<vector<int> > CellList; |
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> |
vector<vector<int> > cellListRow_; |
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> |
vector<vector<int> > cellListCol_; |
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#endif |
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vector<RealType> pot_local; |
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