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#ifndef PARALLEL_FORCEMATRIXDECOMPOSITION_HPP |
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#define PARALLEL_FORCEMATRIXDECOMPOSITION_HPP |
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< |
#include "Parallel/ForceDecomposition.hpp" |
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> |
#include "parallel/ForceDecomposition.hpp" |
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#include "math/SquareMatrix3.hpp" |
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#include "brains/Snapshot.hpp" |
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#ifdef IS_MPI |
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< |
#include "Parallel/Communicator.hpp" |
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> |
#include "parallel/Communicator.hpp" |
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#endif |
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using namespace std; |
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SnapshotManager* sman_; |
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Snapshot* snap_; |
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int storageLayout_; |
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< |
#ifdef IS_MPI |
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> |
vector<Vector3i> Cells; |
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+ |
int nLocal_; |
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int nGroups_; |
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#ifdef IS_MPI |
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DataStorage atomRowData; |
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DataStorage atomColData; |
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DataStorage cgRowData; |
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DataStorage cgColData; |
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int nAtomsInRow_; |
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int nAtomsInCol_; |
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int nGroupsInRow_; |
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int nGroupsInCol_; |
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Communicator<Row, int>* AtomCommIntRow; |
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Communicator<Row, RealType>* AtomCommRealRow; |
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Communicator<Row, Vector3d>* AtomCommVectorRow; |
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vector<int> cgLocalToGlobal; |
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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 |
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vector<vector<int> > CellList; |
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#endif |
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vector<RealType> pot_local; |
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}; |
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} |