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root/group/trunk/OOPSE/libmdtools/mpiSimulation.hpp
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Comparing trunk/OOPSE/libmdtools/mpiSimulation.hpp (file contents):
Revision 416 by gezelter, Wed Mar 26 23:14:02 2003 UTC vs.
Revision 1108 by tim, Wed Apr 14 15:37:41 2004 UTC

# 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  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 <  
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 >  vector<int> getGlobalAtomIndex(void) {return globalAtomIndex; }
29 >  vector<int> getGlobalMolIndex(void) {return globalMolIndex;}
30 >  int getGlobalToLocalMol(int globalIndex) {return globalToLocalMol[globalIndex];}
31 >  int getGlobalToLocalAtom(int globalIndex) {return globalToLocalAtom[globalIndex];}
32  
33 +
34 +  //void globalToLocalMol(int globalIndex, int& whichNode, int& localIndex);
35 +  //void globalToLocalAtom(int globalIndex, int& whichNode, int& localIndex);
36 +
37    // sets the internal function pointer to fortran.
38  
39 <  void setInternal( void (*fSetup) setFortranMPIlist ){
39 >  void setInternal( setFortranMPI_TD fSetup){
40      setFsimParallel = fSetup;
41    }
42  
# Line 42 | Line 52 | class mpiSimulation{ (public)
52    int *MolComponentType;
53    int *AtomToProcMap;
54    int *AtomType;
55 +  vector<int> globalAtomIndex;
56 +  vector<int> globalMolIndex;
57  
58 +  vector<int> globalToLocalMol;
59 +  vector<int> globalToLocalAtom;
60    // private function to initialize the fortran side of the simulation
61 <  void (*setFsimParallel) setFortranMPIlist;
61 >  setFortranMPI_TD setFsimParallel;
62  
63    // int *myIdents; // is needed by Cpp only. It tells the molecule which stamp it is.
64  

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