| 21 |
|
int getMyNMol( void ) { return mpiPlug->myNMol; } |
| 22 |
|
int getMyNlocal( void ) { return mpiPlug->myNlocal; } |
| 23 |
|
int getTotAtoms( void ) { return mpiPlug->nAtomsGlobal; } |
| 24 |
+ |
int getTotNmol( void ) { return mpiPlug->nMolGlobal; } |
| 25 |
|
int* getAtomToProcMap( void ) { return AtomToProcMap; } |
| 26 |
< |
|
| 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 ){ |
