# | Line 3 | Line 3 | |
---|---|---|
3 | ||
4 | #include "SimInfo.hpp" | |
5 | #include "MakeStamps.hpp" | |
6 | + | #define __C |
7 | + | #include "mpiComponentPlan.h" |
8 | ||
9 | + | |
10 | class mpiSimulation{ | |
11 | public: | |
12 | ||
# | Line 19 | Line 22 | class mpiSimulation{ (public) | |
22 | int getMyAtomStart( void ) { return myAtomStart; } | |
23 | int getMyAtomEnd( void ) { return myAtomEnd; } | |
24 | int getMyNlocal( void ) { return myNlocal; } | |
25 | + | |
26 | + | int getTotAtoms( void ) { return simTotAtoms; } |
27 | ||
28 | ||
29 | private: | |
30 | ||
31 | protected: | |
32 | SimInfo* entryPlug; | |
33 | < | |
29 | < | int myMolStart; |
30 | < | int myMolEnd; |
31 | < | int myAtomStart, myAtomEnd; |
32 | < | int myMol; |
33 | < | int myNlocal; |
34 | < | int *myIdents; |
35 | < | int numberProcessors; |
36 | < | int myNode; |
37 | < | // int processorNameLen; |
38 | < | // char* processorName; |
39 | < | int natomsRow,natomsCol; |
40 | < | int numberCols,numberRows; |
41 | < | int nmolsRow,nmolsCol,nmolsLocal; |
33 | > | mpiSimData* mpiPlug; |
34 | ||
35 | + | // int *myIdents; // is needed by Cpp only. It tells the molecule which stamp it is. |
36 | ||
44 | – | int simTotAtoms, simTotBonds, simTotBends, simTotTorsions; |
45 | – | int simTotSRI, simTotNmol; |
46 | – | |
37 | }; | |
38 | ||
39 | + | extern mpiSimulation* mpiSim; |
40 | ||
41 | #endif |
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