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#include "SimInfo.hpp" |
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#include "MakeStamps.hpp" |
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+ |
#define __C |
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#include "mpiComponentPlan.h" |
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+ |
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class mpiSimulation{ |
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public: |
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int getMyAtomStart( void ) { return myAtomStart; } |
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int getMyAtomEnd( void ) { return myAtomEnd; } |
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int getMyNlocal( void ) { return myNlocal; } |
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+ |
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int getTotAtoms( void ) { return simTotAtoms; } |
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private: |
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protected: |
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SimInfo* entryPlug; |
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< |
|
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< |
int myMolStart; |
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< |
int myMolEnd; |
| 31 |
< |
int myAtomStart, myAtomEnd; |
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< |
int myMol; |
| 33 |
< |
int myNlocal; |
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< |
int *myIdents; |
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< |
int numberProcessors; |
| 36 |
< |
int myNode; |
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< |
// int processorNameLen; |
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< |
// char* processorName; |
| 39 |
< |
int natomsRow,natomsCol; |
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< |
int numberCols,numberRows; |
| 41 |
< |
int nmolsRow,nmolsCol,nmolsLocal; |
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> |
mpiSimData* mpiPlug; |
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+ |
// int *myIdents; // is needed by Cpp only. It tells the molecule which stamp it is. |
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– |
int simTotAtoms, simTotBonds, simTotBends, simTotTorsions; |
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int simTotSRI, simTotNmol; |
| 46 |
– |
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| 37 |
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}; |
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| 39 |
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extern mpiSimulation* mpiSim; |
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#endif |
