--- trunk/mdtools/md_code/Thermo.cpp	2003/01/27 21:28:19	249
+++ trunk/mdtools/md_code/Thermo.cpp	2003/02/04 20:16:08	264
@@ -1,6 +1,9 @@
 #include <cmath>
+#include <iostream>
+using namespace std;
 
 #ifdef IS_MPI
+#include <mpi.h>
 #include <mpi++.h>
 #endif //is_mpi
 
@@ -14,6 +17,7 @@ Thermo::Thermo( SimInfo* the_entry_plug ) { 
 Thermo::Thermo( SimInfo* the_entry_plug ) { 
   entry_plug = the_entry_plug;
   int baseSeed = BASE_SEED;
+  
   gaussStream = new gaussianSPRNG( baseSeed );
 }
 
@@ -63,7 +67,7 @@ double Thermo::getKinetic(){
     }
   }
 #ifdef IS_MPI
-  MPI_COMM_WORLD.Allreduce(&kinetic,&kinetic_global,1,MPI_DOUBLE,MPI_SUM);
+  MPI::COMM_WORLD.Allreduce(&kinetic,&kinetic_global,1,MPI_DOUBLE,MPI_SUM);
   kinetic = kinetic_global;
 #endif //is_mpi
 
@@ -94,8 +98,9 @@ double Thermo::getPotential(){
 
   // Get total potential for entire system from MPI.
 #ifdef IS_MPI
-  MPI_COMM_WORLD.Allreduce(&potential,&potential_global,1,MPI_DOUBLE,MPI_SUM);
+  MPI::COMM_WORLD.Allreduce(&potential,&potential_global,1,MPI_DOUBLE,MPI_SUM);
   potential = potential_global;
+ 
 #endif // is_mpi
 
   return potential;
@@ -185,7 +190,7 @@ void Thermo::velocitize() {
 #ifdef IS_MPI
 #error "SPRNG random number generator must be used for MPI"
 #else
-#warning "Using drand48 for random number generation"
+    // warning "Using drand48 for random number generation"
 #endif  // is_mpi 
 
     x = drand48();
@@ -199,6 +204,7 @@ void Thermo::velocitize() {
     x = drand48();
     y = drand48();
     vz = vbar * sqrt( -2.0 * log(x)) * cos(2 * M_PI * y);
+
 #endif // use_spring
 
 #ifdef USE_SPRNG
@@ -260,7 +266,7 @@ void Thermo::velocitize() {
 #ifdef IS_MPI
 #error "SPRNG random number generator must be used for MPI"
 #else  // is_mpi
-#warning "Using drand48 for random number generation"
+	//warning "Using drand48 for random number generation"
 #endif   // is_MPI
 	
 	vbar = sqrt( 2.0 * kebar * dAtom->getIxx() );