--- trunk/mdtools/headers/mpiSimulation.hpp	2003/01/02 20:14:08	221
+++ trunk/mdtools/headers/mpiSimulation.hpp	2003/01/30 15:20:21	253
@@ -13,30 +13,53 @@ class mpiSimulation{ (public)
   mpiSimulation(SimInfo* the_entryPlug);
   ~mpiSimulation();
   
-  void divideLabor( void );
+  int *divideLabor( void );
   
-  int  getMyNode(void)           { return myNode; }
-  int  getnumberProcessors(void) { return numberProcessors; }
-  int  getMyMolStart( void )     { return myMolStart; }
-  int  getMyMolEnd( void )       { return myMlEnd; }
-  int  getMyMol( void )          { return myMol; }
-  int  getMyAtomStart( void )    { return myAtomStart; }
-  int  getMyAtomEnd( void )      { return myAtomEnd; }
-  int  getMyNlocal( void )       { return myNlocal; }
-
-  int getTotAtoms( void )        { return simTotAtoms; }
+  int  getMyNode(void)           { return mpiPlug->myNode; }
+  int  getNumberProcessors(void) { return mpiPlug->numberProcessors; }
+  int  getMyMolStart( void )     { return mpiPlug->myMolStart; }
+  int  getMyMolEnd( void )       { return mpiPlug->myMolEnd; }
+  int  getMyMol( void )          { return mpiPlug->myMol; }
+  int  getMyAtomStart( void )    { return mpiPlug->myAtomStart; }
+  int  getMyAtomEnd( void )      { return mpiPlug->myAtomEnd; }
+  int  getMyNlocal( void )       { return mpiPlug->myNlocal; }
+  int  getTotAtoms( void )       { return mpiPlug->nAtomsGlobal; }
   
 
-private:
+  // sets the internal function pointer to fortran.
 
+  void setInternal( void (*fSetup)( mpiSimData*, int*, int*, int*) ){
+    setFsimParallel = fSetup;
+  }
+
+
+  // call at the begining and after load balancing
+  
+  void mpiRefresh( void );
+
 protected:
   SimInfo* entryPlug;
   mpiSimData* mpiPlug;
 
+  // function to wrap the fortran function
+  void wrapMe();
+  
+  // private function to initialize the fortran side of the simulation
+  void (*setFsimParallel)(mpiSimData* the_mpiPlug, int *nLocal,
+			  int* globalIndex, int* isError );
+
   // int *myIdents; // is needed by Cpp only. It tells the molecule which stamp it is.
 
 };
 
+
+/**
+   The following pointer is the global declaration of the mpiSim
+   object created when the mpiSimulation creation routine is
+   called. Every one who includes the header file will then have
+   access to all of the routines in mpiSimulation class. 
+*/ 
+
 extern mpiSimulation* mpiSim;
 
 #endif