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 ){ |
31 |
> |
void setInternal( setFortranMPI_TD fSetup){ |
32 |
|
setFsimParallel = fSetup; |
33 |
|
} |
34 |
|
|
46 |
|
int *AtomType; |
47 |
|
|
48 |
|
// private function to initialize the fortran side of the simulation |
49 |
< |
void (*setFsimParallel) setFortranMPIlist; |
49 |
> |
setFortranMPI_TD setFsimParallel; |
50 |
|
|
51 |
|
// int *myIdents; // is needed by Cpp only. It tells the molecule which stamp it is. |
52 |
|
|