--- trunk/OOPSE/libmdtools/ExtendedSystem.cpp 2003/04/09 04:06:43 483 +++ trunk/OOPSE/libmdtools/ExtendedSystem.cpp 2003/04/09 13:59:35 484 @@ -47,7 +47,7 @@ void ExtendedSystem::NoseHooverNVT( double dt, double zetaScale = zeta * dt; - std::cerr << "zetaScale = " << zetaScale << "\n"; + //std::cerr << "zetaScale = " << zetaScale << "\n"; // perform thermostat scaling on linear velocities and angular momentum for(i = 0; i < entry_plug->n_atoms; i++){ @@ -121,7 +121,7 @@ void ExtendedSystem::NoseHooverAndersonNPT( double dt, // determine the change in cell volume scale = pow( (1.0 + dt * 3.0 * epsilonDot), (1.0 / 3.0)); - std::cerr << "pmol = " << p_mol << " p_ext = " << p_ext << " scale = " << scale << "\n"; + //std::cerr << "pmol = " << p_mol << " p_ext = " << p_ext << " scale = " << scale << "\n"; newBox[0] = oldBox[0] * scale; newBox[1] = oldBox[1] * scale; @@ -141,7 +141,7 @@ 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++){