--- trunk/OOPSE/libmdtools/mpiSimulation.hpp	2003/03/26 23:14:02	416
+++ trunk/OOPSE/libmdtools/mpiSimulation.hpp	2004/05/27 18:59:17	1203
@@ -14,19 +14,30 @@ class mpiSimulation{ (public)
   mpiSimulation(SimInfo* the_entryPlug);
   ~mpiSimulation();
   
-  int *divideLabor( void );
+  void divideLabor();
   
-  int  getMyNode(void)           { return mpiPlug->myNode; }
-  int  getNumberProcessors(void) { return mpiPlug->numberProcessors; }
-  int  getMyNMol( void )         { return mpiPlug->myNMol; }
-  int  getMyNlocal( void )       { return mpiPlug->myNlocal; }
-  int  getTotAtoms( void )       { return mpiPlug->nAtomsGlobal; }
-  int* getAtomToProcMap( void ) { return AtomToProcMap; }
-  
+  int  getMyNode( void )         { return parallelData->myNode; }
+  int  getNProcessors( void )    { return parallelData->nProcessors; }
+  int  getNMolLocal( void )      { return parallelData->nMolLocal; }
+  int  getNMolGlobal( void )     { return parallelData->nMolGlobal; }
+  int  getNAtomsLocal( void )    { return parallelData->nAtomsLocal; }
+  int  getNAtomsGlobal( void )   { return parallelData->nAtomsGlobal; }
+  int  getNGroupsLocal( void )   { return parallelData->nGroupsLocal; }
+  int  getNGroupsGlobal( void )  { return parallelData->nGroupsGlobal; }
+  int* getAtomToProcMap( void )  { return AtomToProcMap; }
+  int* getGroupToProcMap( void ) { return GroupToProcMap; }
+  int* getMolToProcMap( void )   { return MolToProcMap; }
+  int* getMolComponentType(void) { return MolComponentType; }
+  vector<int> getGlobalAtomIndex(void) {return globalAtomIndex; }
+  vector<int> getGlobalGroupIndex(void) {return globalGroupIndex; }
+  vector<int> getGlobalMolIndex(void) {return globalMolIndex;}
+  int getGlobalToLocalMol(int globalIndex) {return globalToLocalMol[globalIndex];}
+  int getGlobalToLocalAtom(int globalIndex) {return globalToLocalAtom[globalIndex];}
+  int getGlobalToLocalGroup(int globalIndex) {return globalToLocalGroup[globalIndex];}
 
   // sets the internal function pointer to fortran.
 
-  void setInternal( void (*fSetup) setFortranMPIlist ){
+  void setInternal( setFortranMPI_TD fSetup){
     setFsimParallel = fSetup;
   }
 
@@ -37,14 +48,22 @@ class mpiSimulation{ (public)
 
 protected:
   SimInfo* entryPlug;
-  mpiSimData* mpiPlug;
+  mpiSimData* parallelData;
   int *MolToProcMap;
   int *MolComponentType;
   int *AtomToProcMap;
   int *AtomType;
+  int *GroupToProcMap;
+  vector<int> globalAtomIndex;
+  vector<int> globalMolIndex;
+  vector<int> globalGroupIndex;
 
+  vector<int> globalToLocalMol;
+  vector<int> globalToLocalAtom;
+  vector<int> globalToLocalGroup;
+
   // private function to initialize the fortran side of the simulation
-  void (*setFsimParallel) setFortranMPIlist;
+  setFortranMPI_TD setFsimParallel;
 
   // int *myIdents; // is needed by Cpp only. It tells the molecule which stamp it is.