--- trunk/src/brains/Thermo.cpp	2006/07/03 13:18:43	998
+++ trunk/src/brains/Thermo.cpp	2008/09/12 20:51:22	1292
@@ -209,7 +209,7 @@ namespace oopse {
     RealType volume = this->getVolume();
     Snapshot* curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
     Mat3x3d tau = curSnapshot->statData.getTau();
-    
+
     pressureTensor =  (p_global + OOPSEConstant::energyConvert* tau)/volume;
     
     return pressureTensor;
@@ -228,11 +228,71 @@ namespace oopse {
     stat[Stats::VOLUME] = getVolume();      
 
     Mat3x3d tensor =getPressureTensor();
-    stat[Stats::PRESSURE_TENSOR_X] = tensor(0, 0);      
-    stat[Stats::PRESSURE_TENSOR_Y] = tensor(1, 1);      
-    stat[Stats::PRESSURE_TENSOR_Z] = tensor(2, 2);      
+    stat[Stats::PRESSURE_TENSOR_XX] = tensor(0, 0);      
+    stat[Stats::PRESSURE_TENSOR_XY] = tensor(0, 1);      
+    stat[Stats::PRESSURE_TENSOR_XZ] = tensor(0, 2);      
+    stat[Stats::PRESSURE_TENSOR_YX] = tensor(1, 0);      
+    stat[Stats::PRESSURE_TENSOR_YY] = tensor(1, 1);      
+    stat[Stats::PRESSURE_TENSOR_YZ] = tensor(1, 2);      
+    stat[Stats::PRESSURE_TENSOR_ZX] = tensor(2, 0);      
+    stat[Stats::PRESSURE_TENSOR_ZY] = tensor(2, 1);      
+    stat[Stats::PRESSURE_TENSOR_ZZ] = tensor(2, 2);      
+
+
+    Globals* simParams = info_->getSimParams();
+
+    if (simParams->haveTaggedAtomPair() && 
+        simParams->havePrintTaggedPairDistance()) {
+      if ( simParams->getPrintTaggedPairDistance()) {
+        
+        std::pair<int, int> tap = simParams->getTaggedAtomPair();
+        Vector3d pos1, pos2, rab;
+
+#ifdef IS_MPI        
+
+	int mol1 = info_->getGlobalMolMembership(tap.first);
+	int mol2 = info_->getGlobalMolMembership(tap.second);
+        
+        int proc1 = info_->getMolToProc(mol1);
+        int proc2 = info_->getMolToProc(mol2);
+
+	RealType data[3];
+        if (proc1 == worldRank) {
+          StuntDouble* sd1 = info_->getIOIndexToIntegrableObject(tap.first);
+          pos1 = sd1->getPos();
+          data[0] = pos1.x();
+          data[1] = pos1.y();
+          data[2] = pos1.z();          
+          MPI_Bcast(data, 3, MPI_REALTYPE, proc1, MPI_COMM_WORLD);
+        } else {
+          MPI_Bcast(data, 3, MPI_REALTYPE, proc1, MPI_COMM_WORLD);
+          pos1 = Vector3d(data);
+        }
 
 
+        if (proc2 == worldRank) {
+          StuntDouble* sd2 = info_->getIOIndexToIntegrableObject(tap.second);
+          pos2 = sd2->getPos();
+          data[0] = pos2.x();
+          data[1] = pos2.y();
+          data[2] = pos2.z();          
+          MPI_Bcast(data, 3, MPI_REALTYPE, proc2, MPI_COMM_WORLD);
+        } else {
+          MPI_Bcast(data, 3, MPI_REALTYPE, proc2, MPI_COMM_WORLD);
+          pos2 = Vector3d(data);
+        }
+#else
+        StuntDouble* at1 = info_->getIOIndexToIntegrableObject(tap.first);
+        StuntDouble* at2 = info_->getIOIndexToIntegrableObject(tap.second);
+        pos1 = at1->getPos();
+        pos2 = at2->getPos();
+#endif        
+        rab = pos2 - pos1;
+        currSnapshot->wrapVector(rab);
+        stat[Stats::TAGGED_PAIR_DISTANCE] =  rab.length();
+      }
+    }
+      
     /**@todo need refactorying*/
     //Conserved Quantity is set by integrator and time is set by setTime