# | Line 14 | Line 14 | class mpiSimulation{ (public) | |
---|---|---|
14 | mpiSimulation(SimInfo* the_entryPlug); | |
15 | ~mpiSimulation(); | |
16 | ||
17 | < | int *divideLabor( void ); |
17 | > | void divideLabor(); |
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; } |
26 | < | int getMyNlocal( void ) { return mpiPlug->myNlocal; } |
27 | < | int getTotAtoms( void ) { return mpiPlug->nAtomsGlobal; } |
28 | < | |
19 | > | int getMyNode( void ) { return parallelData->myNode; } |
20 | > | int getNProcessors( void ) { return parallelData->nProcessors; } |
21 | > | int getNMolLocal( void ) { return parallelData->nMolLocal; } |
22 | > | int getNMolGlobal( void ) { return parallelData->nMolGlobal; } |
23 | > | int getNAtomsLocal( void ) { return parallelData->nAtomsLocal; } |
24 | > | int getNAtomsGlobal( void ) { return parallelData->nAtomsGlobal; } |
25 | > | int getNGroupsLocal( void ) { return parallelData->nGroupsLocal; } |
26 | > | int getNGroupsGlobal( void ) { return parallelData->nGroupsGlobal; } |
27 | > | int* getAtomToProcMap( void ) { return AtomToProcMap; } |
28 | > | int* getGroupToProcMap( void ) { return GroupToProcMap; } |
29 | > | int* getMolToProcMap( void ) { return MolToProcMap; } |
30 | > | int* getMolComponentType(void) { return MolComponentType; } |
31 | > | vector<int> getGlobalAtomIndex(void) {return globalAtomIndex; } |
32 | > | vector<int> getGlobalGroupIndex(void) {return globalGroupIndex; } |
33 | > | vector<int> getGlobalMolIndex(void) {return globalMolIndex;} |
34 | > | int getGlobalToLocalMol(int globalIndex) {return globalToLocalMol[globalIndex];} |
35 | > | int getGlobalToLocalAtom(int globalIndex) {return globalToLocalAtom[globalIndex];} |
36 | > | int getGlobalToLocalGroup(int globalIndex) {return globalToLocalGroup[globalIndex];} |
37 | ||
38 | // sets the internal function pointer to fortran. | |
39 | ||
40 | < | void setInternal( void (*fSetup) setFortranMPIlist ){ |
40 | > | void setInternal( setFortranMPI_TD fSetup){ |
41 | setFsimParallel = fSetup; | |
42 | } | |
43 | ||
# | Line 40 | Line 48 | class mpiSimulation{ (public) | |
48 | ||
49 | protected: | |
50 | SimInfo* entryPlug; | |
51 | < | mpiSimData* mpiPlug; |
52 | < | |
51 | > | mpiSimData* parallelData; |
52 | > | int *MolToProcMap; |
53 | > | int *MolComponentType; |
54 | > | int *AtomToProcMap; |
55 | > | int *AtomType; |
56 | > | int *GroupToProcMap; |
57 | > | vector<int> globalAtomIndex; |
58 | > | vector<int> globalMolIndex; |
59 | > | vector<int> globalGroupIndex; |
60 | > | |
61 | > | vector<int> globalToLocalMol; |
62 | > | vector<int> globalToLocalAtom; |
63 | > | vector<int> globalToLocalGroup; |
64 | > | |
65 | // private function to initialize the fortran side of the simulation | |
66 | < | void (*setFsimParallel) setFortranMPIlist; |
66 | > | setFortranMPI_TD setFsimParallel; |
67 | ||
68 | // int *myIdents; // is needed by Cpp only. It tells the molecule which stamp it is. | |
69 |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |