--- trunk/OOPSE/libmdtools/ExtendedSystem.cpp	2003/04/08 12:50:18	476
+++ trunk/OOPSE/libmdtools/ExtendedSystem.cpp	2003/04/08 14:34:30	477
@@ -93,7 +93,7 @@ void ExtendedSystem::NoseHooverAndersonNPT( double dt,
   atoms = entry_plug->atoms;
 
   p_ext = targetPressure * p_units;
-  p_mol = p_int;
+  p_mol = p_int * p_units;
 
   entry_plug->getBox(oldBox);
   volume = oldBox[0]*oldBox[1]*oldBox[2];
@@ -106,15 +106,9 @@ void ExtendedSystem::NoseHooverAndersonNPT( double dt,
   epsilonDot +=  dt * ((p_mol - p_ext) * volume / 
                        (tauRelax*tauRelax * kB * targetTemp) );
 
-
-  std::cerr << "dt = " << dt << " tauRelax = " << tauRelax << " kB = " << kB << "targetTemp = " << targetTemp << "\n";
-
   // determine the change in cell volume
   scale = pow( (1.0 + dt * 3.0 * epsilonDot), (1.0 / 3.0));
 
-  std::cerr << "p_mol = " << p_mol << " p_ext = " << p_ext << " scale = " << scale << "\n";
-
-
   newBox[0] = oldBox[0] * scale;
   newBox[1] = oldBox[1] * scale;
   newBox[2] = oldBox[2] * scale;
@@ -133,7 +127,7 @@ void ExtendedSystem::NoseHooverAndersonNPT( double dt,
   zeta += dt * ( (ke_temp*2.0 - NkBT) / qmass );
   zetaScale = zeta * dt;
 
-  std::cerr << "zetaScale = " << zetaScale << "epsilonScale = " << epsilonScale <<  "\n";
+  std::cerr << "zetaScale = " << zetaScale << " epsilonScale = " << epsilonScale <<  "\n";
   
   // apply barostating and thermostating to velocities and angular momenta
   for(i = 0; i < entry_plug->n_atoms; i++){