--- trunk/OOPSE/libmdtools/Thermo.cpp	2003/04/03 19:58:24	445
+++ trunk/OOPSE/libmdtools/Thermo.cpp	2003/04/03 20:21:54	447
@@ -4,7 +4,6 @@ using namespace std;
 
 #ifdef IS_MPI
 #include <mpi.h>
-#include <mpi++.h>
 #endif //is_mpi
 
 #include "Thermo.hpp"
@@ -73,7 +72,8 @@ double Thermo::getKinetic(){
     }
   }
 #ifdef IS_MPI
-  MPI::COMM_WORLD.Allreduce(&kinetic,&kinetic_global,1,MPI_DOUBLE,MPI_SUM);
+  MPI_Allreduce(&kinetic,&kinetic_global,1,MPI_DOUBLE,
+		MPI_SUM, MPI_COMM_WORLD);
   kinetic = kinetic_global;
 #endif //is_mpi
 
@@ -100,17 +100,10 @@ double Thermo::getPotential(){
     potential_local += molecules[el].getPotential();
   }
 
-#ifdef IS_MPI
-  /*
-  std::cerr << "node " << worldRank << ": before LONG RANGE pot = " << entry_plug->lrPot 
-	    << "; pot_local = " << potential_local 
-	    << "; pot = " << potential << "\n";
-  */
-#endif
-
   // Get total potential for entire system from MPI.
 #ifdef IS_MPI
-  MPI::COMM_WORLD.Allreduce(&potential_local,&potential,1,MPI_DOUBLE,MPI_SUM);
+  MPI_Allreduce(&potential_local,&potential,1,MPI_DOUBLE,
+		MPI_SUM, MPI_COMM_WORLD);
 #else
   potential = potential_local; 
 #endif // is_mpi
@@ -142,7 +135,7 @@ double Thermo::getTemperature(){
     - entry_plug->n_constraints;
 
 #ifdef IS_MPI
-  MPI::COMM_WORLD.Allreduce(&ndf_local,&ndf,1,MPI_INT,MPI_SUM);
+  MPI_Allreduce(&ndf_local,&ndf,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD);
 #else
   ndf = ndf_local;
 #endif
@@ -195,8 +188,8 @@ void Thermo::velocitize() {
     - entry_plug->n_constraints;
   
 #ifdef IS_MPI
-  MPI::COMM_WORLD.Allreduce(&ndf_local,&ndf,1,MPI_INT,MPI_SUM);
-  MPI::COMM_WORLD.Allreduce(&ndfRaw_local,&ndfRaw,1,MPI_INT,MPI_SUM);
+  MPI_Allreduce(&ndf_local,&ndf,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(&ndfRaw_local,&ndfRaw,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD);
 #else
   ndfRaw = ndfRaw_local;
   ndf = ndf_local;
@@ -300,8 +293,8 @@ void Thermo::getCOMVel(double vdrift[3]){
   }
 
 #ifdef IS_MPI
-  MPI::COMM_WORLD.Allreduce(&mtot_local,&mtot,1,MPI_DOUBLE,MPI_SUM);
-  MPI::COMM_WORLD.Allreduce(vdrift_local,vdrift,3,MPI_DOUBLE,MPI_SUM);
+  MPI_Allreduce(&mtot_local,&mtot,1,MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(vdrift_local,vdrift,3,MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);
 #else
   mtot = mtot_local;
   for(vd = 0; vd < 3; vd++) {