--- trunk/OOPSE/libmdtools/Thermo.cpp	2004/05/24 21:03:30	1192
+++ trunk/OOPSE/libmdtools/Thermo.cpp	2004/06/07 14:09:02	1251
@@ -200,37 +200,24 @@ void Thermo::getPressureTensor(double press[3][3]){
   const double e_convert = 4.184e-4;
 
   double molmass, volume;
-  double vcom[3], pcom[3], fcom[3], scaled[3];
+  double vcom[3];
   double p_local[9], p_global[9];
-  int i, j, k, nMols;
-  Molecule* molecules;
+  int i, j, k;
 
-  nMols = info->n_mol;
-  molecules = info->molecules;
-  //tau = info->tau;
 
-  // use velocities of molecular centers of mass and molecular masses:
+
   for (i=0; i < 9; i++) {    
     p_local[i] = 0.0;
     p_global[i] = 0.0;
   }
 
+  // use velocities of integrableObjects and their masses:  
+
   for (i=0; i < info->integrableObjects.size(); i++) {
 
     molmass = info->integrableObjects[i]->getMass();
     
     info->integrableObjects[i]->getVel(vcom);
-    info->integrableObjects[i]->getPos(pcom);
-    info->integrableObjects[i]->getFrc(fcom);
-
-    matVecMul3(info->HmatInv, pcom, scaled);
-  
-    for(j=0; j<3; j++)
-      scaled[j] -= roundMe(scaled[j]);
-
-    // calc the wrapped real coordinates from the wrapped scaled coordinates
-  
-    matVecMul3(info->Hmat, scaled, pcom);
     
     p_local[0] += molmass * (vcom[0] * vcom[0]); 
     p_local[1] += molmass * (vcom[0] * vcom[1]); 
@@ -245,7 +232,7 @@ void Thermo::getPressureTensor(double press[3][3]){
   }
 
   // Get total for entire system from MPI.
-
+  
 #ifdef IS_MPI
   MPI_Allreduce(p_local,p_global,9,MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
 #else