--- trunk/OOPSE/libmdtools/mpiSimulation.cpp	2003/08/20 22:23:34	708
+++ trunk/OOPSE/libmdtools/mpiSimulation.cpp	2004/04/22 03:29:30	1129
@@ -1,8 +1,8 @@
 #ifdef IS_MPI
 #include <iostream>
-#include <cstdlib>
-#include <cstring>
-#include <cmath>
+#include <stdlib.h>
+#include <string.h>
+#include <math.h>
 #include <mpi.h>
 
 #include "mpiSimulation.hpp"
@@ -10,8 +10,6 @@
 #include "fortranWrappers.hpp"
 #include "randomSPRNG.hpp"
 
-#define BASE_SEED 123456789
-
 mpiSimulation* mpiSim;
 
 mpiSimulation::mpiSimulation(SimInfo* the_entryPlug)
@@ -42,10 +40,8 @@ mpiSimulation::~mpiSimulation(){
   
 }
 
-int* mpiSimulation::divideLabor( void ){
+void mpiSimulation::divideLabor( ){
 
-  int* globalIndex;
-
   int nComponents;
   MoleculeStamp** compStamps;
   randomSPRNG *myRandom;
@@ -59,17 +55,13 @@ int* mpiSimulation::divideLabor( void ){
   int old_atoms, add_atoms, new_atoms;
 
   int nTarget;
-  int molIndex, atomIndex, compIndex, compStart;
+  int molIndex, atomIndex;
   int done;
-  int nLocal, molLocal;
   int i, j, loops, which_proc, nmol_local, natoms_local;
   int nmol_global, natoms_global;
-  int local_index, index;
-  int smallDiff, bigDiff;
+  int local_index;
   int baseSeed = entryPlug->getSeed();
 
-  int testSum;
-
   nComponents = entryPlug->nComponents;
   compStamps = entryPlug->compStamps;
   componentsNmol = entryPlug->componentsNmol;
@@ -82,7 +74,6 @@ int* mpiSimulation::divideLabor( void ){
   mpiPlug->nSRIGlobal = entryPlug->n_SRI;
   mpiPlug->nMolGlobal = entryPlug->n_mol;
 
-  
   myRandom = new randomSPRNG( baseSeed );
 
   a = 3.0 * (double)mpiPlug->nMolGlobal / (double)mpiPlug->nAtomsGlobal;
@@ -280,16 +271,35 @@ int* mpiSimulation::divideLabor( void ){
   mpiPlug->myNMol = nmol_local;
   mpiPlug->myNlocal = natoms_local;
 
-  globalIndex = new int[mpiPlug->myNlocal];
+  globalAtomIndex.resize(mpiPlug->myNlocal);
+  globalToLocalAtom.resize(mpiPlug->nAtomsGlobal);
   local_index = 0;
   for (i = 0; i < mpiPlug->nAtomsGlobal; i++) {
     if (AtomToProcMap[i] == mpiPlug->myNode) {
-      globalIndex[local_index] = i;
+      globalAtomIndex[local_index] = i;
+
+      globalToLocalAtom[i] = local_index;
       local_index++;
+      
     }
+    else
+       globalToLocalAtom[i] = -1;
   }
+
+  globalMolIndex.resize(mpiPlug->myNMol);
+  globalToLocalMol.resize(mpiPlug->nMolGlobal);
   
-  return globalIndex;
+  local_index = 0;
+  for (i = 0; i < mpiPlug->nMolGlobal; i++) {
+    if (MolToProcMap[i] == mpiPlug->myNode) {
+      globalMolIndex[local_index] = i;
+      globalToLocalMol[i] = local_index;
+      local_index++;
+    }
+    else
+      globalToLocalMol[i] = -1;
+  }
+  
 }