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 |
< |
|
25 |
< |
|
24 |
> |
int getTotNmol( void ) { return mpiPlug->nMolGlobal; } |
25 |
> |
int* getAtomToProcMap( void ) { return AtomToProcMap; } |
26 |
> |
int* getMolToProcMap( void ) { return MolToProcMap; } |
27 |
> |
int* getMolComponentType(void) { return MolComponentType; } |
28 |
> |
|
29 |
|
// sets the internal function pointer to fortran. |
30 |
|
|
31 |
|
void setInternal( void (*fSetup) setFortranMPIlist ){ |
40 |
|
protected: |
41 |
|
SimInfo* entryPlug; |
42 |
|
mpiSimData* mpiPlug; |
43 |
< |
|
43 |
> |
int *MolToProcMap; |
44 |
> |
int *MolComponentType; |
45 |
> |
int *AtomToProcMap; |
46 |
> |
int *AtomType; |
47 |
> |
|
48 |
|
// private function to initialize the fortran side of the simulation |
49 |
|
void (*setFsimParallel) setFortranMPIlist; |
50 |
|
|