--- branches/development/src/parallel/ForceMatrixDecomposition.hpp 2011/04/27 18:38:15 1549 +++ branches/development/src/parallel/ForceMatrixDecomposition.hpp 2011/05/24 21:24:45 1567 @@ -42,11 +42,12 @@ #ifndef PARALLEL_FORCEMATRIXDECOMPOSITION_HPP #define PARALLEL_FORCEMATRIXDECOMPOSITION_HPP -#include "Parallel/ForceDecomposition.hpp" +#include "parallel/ForceDecomposition.hpp" #include "math/SquareMatrix3.hpp" +#include "brains/Snapshot.hpp" #ifdef IS_MPI -#include "Parallel/Communicator.hpp" +#include "parallel/Communicator.hpp" #endif using namespace std; @@ -94,7 +95,24 @@ namespace OpenMD { private: SnapshotManager* sman_; + Snapshot* snap_; + int storageLayout_; + vector Cells; + + int nLocal_; + int nGroups_; + #ifdef IS_MPI + DataStorage atomRowData; + DataStorage atomColData; + DataStorage cgRowData; + DataStorage cgColData; + + int nAtomsInRow_; + int nAtomsInCol_; + int nGroupsInRow_; + int nGroupsInCol_; + Communicator* AtomCommIntRow; Communicator* AtomCommRealRow; Communicator* AtomCommVectorRow; @@ -121,8 +139,14 @@ namespace OpenMD { vector cgLocalToGlobal; vector cgRowToGlobal; vector cgColToGlobal; + + vector > CellListRow; + vector > CellListCol; +#else + vector > CellList; #endif vector pot_local; + }; }