--- branches/new_design/OOPSE-3.0/src/brains/Thermo.cpp	2004/12/02 00:09:35	1820
+++ branches/new_design/OOPSE-3.0/src/brains/Thermo.cpp	2004/12/05 22:02:42	1854
@@ -1,8 +1,8 @@
 #include <math.h>
 #include <iostream>
 
-using namespace std;
 
+
 #ifdef IS_MPI
 #include <mpi.h>
 #endif //is_mpi
@@ -36,7 +36,7 @@ double Thermo::getKinetic() {
             double mass = integrableObject->getMass();
             Vector3d vel = integrableObject->getVel();
 
-            kinetic = mass * (vel[0]*vel[0] + vel[1]*vel[1] + vel[2]*vel[2]);
+            kinetic += mass * (vel[0]*vel[0] + vel[1]*vel[1] + vel[2]*vel[2]);
 
             if (integrableObject->isDirectional()) {
                 angMom = integrableObject->getJ();
@@ -122,18 +122,18 @@ double Thermo::getPressure() {
     Mat3x3d tensor;
     double pressure;
 
-    this->getPressureTensor(tensor);
+    tensor = getPressureTensor();
 
     pressure = OOPSEConstant::pressureConvert * (tensor(0, 0) + tensor(1, 1) + tensor(2, 2)) / 3.0;
 
     return pressure;
 }
 
-void Thermo::getPressureTensor(Mat3x3d pressureTensor) {
+Mat3x3d Thermo::getPressureTensor() {
     // returns pressure tensor in units amu*fs^-2*Ang^-1
     // routine derived via viral theorem description in:
     // Paci, E. and Marchi, M. J.Phys.Chem. 1996, 100, 4314-4322
-
+    Mat3x3d pressureTensor;
     Mat3x3d p_local(0.0);
     Mat3x3d p_global(0.0);
 
@@ -161,7 +161,9 @@ void Thermo::getPressureTensor(Mat3x3d pressureTensor)
     Snapshot* curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
     Mat3x3d tau = curSnapshot->statData.getTau();
 
-    pressureTensor =  p_global + OOPSEConstant::energyConvert/volume * tau;
+    pressureTensor =  (p_global + OOPSEConstant::energyConvert* tau)/volume;
+
+    return pressureTensor;
 }
 
 void Thermo::saveStat(){
@@ -173,7 +175,7 @@ void Thermo::saveStat(){
     stat[Stats::TOTAL_ENERGY] = stat[Stats::KINETIC_ENERGY]  + stat[Stats::POTENTIAL_ENERGY] ;
     stat[Stats::TEMPERATURE] = getTemperature();
     stat[Stats::PRESSURE] = getPressure();
-    stat[Stats::VOLUME] = currSnapshot->getVolume();      
+    stat[Stats::VOLUME] = getVolume();      
 
     /**@todo need refactorying*/
     //Conserved Quantity is set by integrator and time is set by setTime