| 55 |
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| 56 |
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class ForceMatrixDecomposition : public ForceDecomposition { |
| 57 |
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public: |
| 58 |
< |
ForceMatrixDecomposition(SimInfo* info, InteractionManager* iMan) : ForceDecomposition(info, iMan) {}; |
| 58 |
> |
ForceMatrixDecomposition(SimInfo* info, InteractionManager* iMan); |
| 59 |
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| 60 |
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void distributeInitialData(); |
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void zeroWorkArrays(); |
| 116 |
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int nGroupsInRow_; |
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int nGroupsInCol_; |
| 118 |
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|
| 119 |
< |
Communicator<Row, int>* AtomCommIntRow; |
| 120 |
< |
Communicator<Row, RealType>* AtomCommRealRow; |
| 121 |
< |
Communicator<Row, Vector3d>* AtomCommVectorRow; |
| 122 |
< |
Communicator<Row, Mat3x3d>* AtomCommMatrixRow; |
| 123 |
< |
Communicator<Row, potVec>* AtomCommPotRow; |
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> |
Communicator<Row> rowComm; |
| 120 |
> |
Communicator<Column> colComm; |
| 121 |
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|
| 122 |
< |
Communicator<Column, int>* AtomCommIntColumn; |
| 123 |
< |
Communicator<Column, RealType>* AtomCommRealColumn; |
| 124 |
< |
Communicator<Column, Vector3d>* AtomCommVectorColumn; |
| 125 |
< |
Communicator<Column, Mat3x3d>* AtomCommMatrixColumn; |
| 126 |
< |
Communicator<Column, potVec>* AtomCommPotColumn; |
| 122 |
> |
Plan<int>* AtomPlanIntRow; |
| 123 |
> |
Plan<RealType>* AtomPlanRealRow; |
| 124 |
> |
Plan<Vector3d>* AtomPlanVectorRow; |
| 125 |
> |
Plan<Mat3x3d>* AtomPlanMatrixRow; |
| 126 |
> |
Plan<potVec>* AtomPlanPotRow; |
| 127 |
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|
| 128 |
< |
Communicator<Row, int>* cgCommIntRow; |
| 129 |
< |
Communicator<Row, Vector3d>* cgCommVectorRow; |
| 130 |
< |
Communicator<Column, int>* cgCommIntColumn; |
| 131 |
< |
Communicator<Column, Vector3d>* cgCommVectorColumn; |
| 128 |
> |
Plan<int>* AtomPlanIntColumn; |
| 129 |
> |
Plan<RealType>* AtomPlanRealColumn; |
| 130 |
> |
Plan<Vector3d>* AtomPlanVectorColumn; |
| 131 |
> |
Plan<Mat3x3d>* AtomPlanMatrixColumn; |
| 132 |
> |
Plan<potVec>* AtomPlanPotColumn; |
| 133 |
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|
| 134 |
+ |
Plan<int>* cgPlanIntRow; |
| 135 |
+ |
Plan<Vector3d>* cgPlanVectorRow; |
| 136 |
+ |
Plan<int>* cgPlanIntColumn; |
| 137 |
+ |
Plan<Vector3d>* cgPlanVectorColumn; |
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+ |
|
| 139 |
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// work arrays for assembling potential energy |
| 140 |
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vector<potVec> pot_row; |
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vector<potVec> pot_col; |
