--- branches/development/src/parallel/ForceDecomposition.hpp 2011/05/24 21:24:45 1567 +++ branches/development/src/parallel/ForceDecomposition.hpp 2011/05/25 16:20:37 1568 @@ -43,6 +43,7 @@ #define PARALLEL_FORCEDECOMPOSITION_HPP #include "brains/SimInfo.hpp" +#include "brains/SnapshotManager.hpp" #include "nonbonded/NonBondedInteraction.hpp" using namespace std; @@ -95,7 +96,7 @@ namespace OpenMD { virtual void collectData() = 0; // neighbor list routines - virtual bool checkNeighborList() = 0; + virtual bool checkNeighborList(); virtual vector > buildNeighborList() = 0; // group bookkeeping @@ -123,10 +124,15 @@ namespace OpenMD { // filling interaction blocks with pointers virtual InteractionData fillInteractionData(int atom1, int atom2) = 0; virtual InteractionData fillSkipData(int atom1, int atom2) = 0; - virtual SelfData fillSelfData(int atom1) = 0; + virtual SelfData fillSelfData(int atom1); protected: SimInfo* info_; + SnapshotManager* sman_; + Snapshot* snap_; + int storageLayout_; + RealType skinThickness_; /**< Verlet neighbor list skin thickness */ + map, int> topoDist; //< topoDist gives the //topological distance between //two atomic sites. This @@ -148,7 +154,10 @@ namespace OpenMD { //the specific decomposition //method to fill this. vector cellOffsets_; - int nOffset_; + Vector3i nCells_; + vector > cellList_; + vector saved_CG_positions_; + }; } #endif