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 |
|
|
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 |
|
|