--- trunk/src/restraints/ThermoIntegrationForceManager.cpp	2005/03/10 15:10:24	417
+++ trunk/src/restraints/ThermoIntegrationForceManager.cpp	2005/03/12 19:05:16	437
@@ -42,6 +42,7 @@
 #include <cmath>
 #include "restraints/ThermoIntegrationForceManager.hpp"
 #include "integrators/Integrator.hpp"
+#include "math/SquareMatrix3.hpp"
 #include "primitives/Molecule.hpp"
 #include "utils/simError.h"
 #include "utils/OOPSEConstant.hpp"
@@ -90,7 +91,7 @@ namespace oopse {
     
     // build the scaling factor used to modulate the forces and torques
     factor_ = pow(tIntLambda_, tIntK_);
-    
+
   }
   
   ThermoIntegrationForceManager::~ThermoIntegrationForceManager(){
@@ -105,12 +106,13 @@ namespace oopse {
     StuntDouble* integrableObject;
     Vector3d frc;
     Vector3d trq;
+    Mat3x3d tempTau;
     
-    curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
-    
     // perform the standard calcForces first
     ForceManager::calcForces(needPotential, needStress);
     
+    curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
+
     // now scale forces and torques of all the integrableObjects
       
     for (mol = info_->beginMolecule(mi); mol != NULL; 
@@ -128,21 +130,26 @@ namespace oopse {
           integrableObject->setTrq(trq);
         }
       }
-      
-      // set vraw to be the unmodulated potential
-      lrPot_ = curSnapshot->statData[Stats::POTENTIAL_ENERGY];
-      curSnapshot->statData[Stats::VRAW] = lrPot_;
-      
-      // modulate the potential and update the snapshot
-      lrPot_ *= factor_;
-      curSnapshot->statData[Stats::POTENTIAL_ENERGY] = lrPot_;
     }
+  
+    // set vraw to be the unmodulated potential
+    lrPot_ = curSnapshot->statData[Stats::LONG_RANGE_POTENTIAL];
+    curSnapshot->statData[Stats::VRAW] = lrPot_;
     
+    // modulate the potential and update the snapshot
+    lrPot_ *= factor_;
+    curSnapshot->statData[Stats::LONG_RANGE_POTENTIAL] = lrPot_;
+    
+    // scale the pressure tensor
+    tempTau = curSnapshot->statData.getTau();
+    tempTau *= factor_;
+    curSnapshot->statData.setTau(tempTau);
+
     // do crystal restraint forces for thermodynamic integration
     if (simParam->getUseSolidThermInt()) {
       
       lrPot_ += restraint_->Calc_Restraint_Forces();
-      curSnapshot->statData[Stats::POTENTIAL_ENERGY] = lrPot_;
+      curSnapshot->statData[Stats::LONG_RANGE_POTENTIAL] = lrPot_;
       
       vHarm_ = restraint_->getVharm();
       curSnapshot->statData[Stats::VHARM] = vHarm_;