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#include "Parallel/Communicator.hpp" |
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#include "math/SquareMatrix3.hpp" |
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using namespace std; |
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namespace OpenMD { |
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class ForceDecomposition : public Decomposition { |
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#ifdef IS_MPI |
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Comm<I, RealType>* AtomCommRealI; |
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Comm<I, Vector3d>* AtomCommVectorI; |
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Comm<I, Mat3x3d>* AtomCommMatrixI; |
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Communicator<Row, RealType>* AtomCommRealI; |
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Communicator<Row, Vector3d>* AtomCommVectorI; |
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Communicator<Row, Mat3x3d>* AtomCommMatrixI; |
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Comm<J, RealType>* AtomCommRealJ; |
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Comm<J, Vector3d>* AtomCommVectorJ; |
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Comm<J, Mat3x3d>* AtomCommMatrixJ; |
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Communicator<Column, RealType>* AtomCommRealJ; |
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Communicator<Column, Vector3d>* AtomCommVectorJ; |
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Communicator<Column, Mat3x3d>* AtomCommMatrixJ; |
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Comm<I, Vector3d>* cgCommVectorI; |
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Comm<J, Vector3d>* cgCommVectorJ; |
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Communicator<Row, Vector3d>* cgCommVectorI; |
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Communicator<Column, Vector3d>* cgCommVectorJ; |
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private: |
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vector<vector<RealType> > pot_row; |
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vector<vector<RealType> > pot_col; |
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vector<vector<RealType> > pot_local; |
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#endif |
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}; |
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