| 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 |
+ |
int* getAtomToProcMap( void ) { return AtomToProcMap; } |
| 25 |
|
|
| 26 |
|
|
| 27 |
|
// sets the internal function pointer to fortran. |
| 38 |
|
protected: |
| 39 |
|
SimInfo* entryPlug; |
| 40 |
|
mpiSimData* mpiPlug; |
| 41 |
< |
|
| 41 |
> |
int *MolToProcMap; |
| 42 |
> |
int *MolComponentType; |
| 43 |
> |
int *AtomToProcMap; |
| 44 |
> |
int *AtomType; |
| 45 |
> |
|
| 46 |
|
// private function to initialize the fortran side of the simulation |
| 47 |
|
void (*setFsimParallel) setFortranMPIlist; |
| 48 |
|
|
