# | Line 18 | Line 18 | class mpiSimulation{ (public) | |
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18 | ||
19 | int getMyNode(void) { return mpiPlug->myNode; } | |
20 | int getNumberProcessors(void) { return mpiPlug->numberProcessors; } | |
21 | < | int getMyMolStart( void ) { return mpiPlug->myMolStart; } |
22 | < | int getMyMolEnd( void ) { return mpiPlug->myMolEnd; } |
23 | < | int getMyMol( void ) { return mpiPlug->myMol; } |
24 | < | int getMyAtomStart( void ) { return mpiPlug->myAtomStart; } |
25 | < | int getMyAtomEnd( void ) { return mpiPlug->myAtomEnd; } |
21 | > | int getMyNMol( void ) { return mpiPlug->myNMol; } |
22 | int getMyNlocal( void ) { return mpiPlug->myNlocal; } | |
23 | int getTotAtoms( void ) { return mpiPlug->nAtomsGlobal; } | |
24 | ||
# | Line 41 | Line 37 | class mpiSimulation{ (public) | |
37 | protected: | |
38 | SimInfo* entryPlug; | |
39 | mpiSimData* mpiPlug; | |
40 | < | |
40 | > | int *MolToProcMap; |
41 | > | int *MolComponentType; |
42 | > | int *AtomToProcMap; |
43 | > | int *AtomType; |
44 | > | |
45 | // private function to initialize the fortran side of the simulation | |
46 | void (*setFsimParallel) setFortranMPIlist; | |
47 |
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