--- trunk/OOPSE/libmdtools/ForceFields.cpp	2003/04/02 22:19:03	443
+++ trunk/OOPSE/libmdtools/ForceFields.cpp	2003/04/03 20:21:54	447
@@ -2,7 +2,6 @@
 
 #ifdef IS_MPI
 #include <mpi.h>
-#include <mpi++.h>
 #endif // is_mpi
 
 
@@ -16,7 +15,8 @@ void ForceFields::calcRcut( void ){
 
 #ifdef IS_MPI
   double tempBig = bigSigma;
-  MPI::COMM_WORLD.Allreduce( &tempBig, &bigSigma, 1, MPI_DOUBLE, MPI_MAX );
+  MPI_Allreduce( &tempBig, &bigSigma, 1, MPI_DOUBLE, MPI_MAX,
+		 MPI_COMM_WORLD);
 #endif  //is_mpi
 
   //calc rCut and rList
@@ -58,16 +58,16 @@ void ForceFields::doForces( int calcPot, int calcStres
   for(i=0; i<entry_plug->n_atoms; i++){
     entry_plug->atoms[i]->zeroForces();
 
-    if( entry_plug->atoms[i]->isDirectional() ){
-      dAtom = (DirectionalAtom *)entry_plug->atoms[i];
-      dAtom->getU(ut);
+//     if( entry_plug->atoms[i]->isDirectional() ){
+//       dAtom = (DirectionalAtom *)entry_plug->atoms[i];
+//       dAtom->getU(ut);
     
 
-      if(dAtom->getIndex()== 1){
-	std::cerr << "atom 2's u_l = " << ut[0] << ", " << ut[1]
-		  << ", " << ut[2] << "\n";
-      }
-    }
+//       if(dAtom->getIndex()== 1){
+// 	std::cerr << "atom 2's u_l = " << ut[0] << ", " << ut[1]
+// 		  << ", " << ut[2] << "\n";
+//       }
+//     }
     
   }