--- branches/development/src/parallel/ForceMatrixDecomposition.hpp 2011/04/28 18:38:21 1551 +++ branches/development/src/parallel/ForceMatrixDecomposition.hpp 2011/05/24 21:24:45 1567 @@ -42,12 +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; @@ -97,13 +97,22 @@ namespace OpenMD { SnapshotManager* sman_; Snapshot* snap_; int storageLayout_; -#ifdef IS_MPI + 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; @@ -130,8 +139,14 @@ namespace OpenMD { vector cgLocalToGlobal; vector cgRowToGlobal; vector cgColToGlobal; + + vector > CellListRow; + vector > CellListCol; +#else + vector > CellList; #endif vector pot_local; + }; }