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#define PARALLEL_FORCEDECOMPOSITION_HPP |
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#include "brains/SimInfo.hpp" |
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#include "brains/SnapshotManager.hpp" |
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#include "nonbonded/NonBondedInteraction.hpp" |
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using namespace std; |
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virtual void collectData() = 0; |
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// neighbor list routines |
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virtual bool checkNeighborList() = 0; |
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virtual bool checkNeighborList(); |
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virtual vector<pair<int, int> > buildNeighborList() = 0; |
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// group bookkeeping |
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// filling interaction blocks with pointers |
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virtual InteractionData fillInteractionData(int atom1, int atom2) = 0; |
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virtual InteractionData fillSkipData(int atom1, int atom2) = 0; |
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< |
virtual SelfData fillSelfData(int atom1) = 0; |
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> |
virtual SelfData fillSelfData(int atom1); |
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protected: |
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SimInfo* info_; |
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SnapshotManager* sman_; |
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Snapshot* snap_; |
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int storageLayout_; |
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RealType skinThickness_; /**< Verlet neighbor list skin thickness */ |
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map<pair<int, int>, int> topoDist; //< topoDist gives the |
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//topological distance between |
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//two atomic sites. This |
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//the specific decomposition |
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//method to fill this. |
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vector<Vector3i> cellOffsets_; |
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int nOffset_; |
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> |
Vector3i nCells_; |
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> |
vector<vector<int> > cellList_; |
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> |
vector<Vector3d> saved_CG_positions_; |
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> |
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}; |
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} |
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#endif |
