--- trunk/src/brains/Thermo.cpp	2005/04/15 22:04:00	507
+++ trunk/src/brains/Thermo.cpp	2005/12/30 21:25:56	833
@@ -110,19 +110,19 @@ namespace oopse {
   double Thermo::getPotential() {
     double potential = 0.0;
     Snapshot* curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
-    double potential_local = curSnapshot->statData[Stats::LONG_RANGE_POTENTIAL] + 
-      curSnapshot->statData[Stats::SHORT_RANGE_POTENTIAL] ;
+    double shortRangePot_local =  curSnapshot->statData[Stats::SHORT_RANGE_POTENTIAL] ;
 
     // Get total potential for entire system from MPI.
 
 #ifdef IS_MPI
 
-    MPI_Allreduce(&potential_local, &potential, 1, MPI_DOUBLE, MPI_SUM,
+    MPI_Allreduce(&shortRangePot_local, &potential, 1, MPI_DOUBLE, MPI_SUM,
                   MPI_COMM_WORLD);
+    potential += curSnapshot->statData[Stats::LONG_RANGE_POTENTIAL];
 
 #else
 
-    potential = potential_local;
+    potential = shortRangePot_local + curSnapshot->statData[Stats::LONG_RANGE_POTENTIAL];
 
 #endif // is_mpi
 
@@ -162,6 +162,23 @@ namespace oopse {
     return pressure;
   }
 
+  double Thermo::getPressure(int direction) {
+
+    // Relies on the calculation of the full molecular pressure tensor
+
+	  
+    Mat3x3d tensor;
+    double pressure;
+
+    tensor = getPressureTensor();
+
+    pressure = OOPSEConstant::pressureConvert * tensor(direction, direction);
+
+    return pressure;
+  }
+
+
+
   Mat3x3d Thermo::getPressureTensor() {
     // returns pressure tensor in units amu*fs^-2*Ang^-1
     // routine derived via viral theorem description in:
@@ -210,6 +227,12 @@ namespace oopse {
     stat[Stats::PRESSURE] = getPressure();
     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);      
+
+
     /**@todo need refactorying*/
     //Conserved Quantity is set by integrator and time is set by setTime