Commit fb7458e6 by Francois Gygi

Use of energy variable in print statements


git-svn-id: http://qboxcode.org/svn/qb/trunk@331 cba15fb0-1239-40c8-b417-11db7ca47a34
parent ca823b34
......@@ -3,7 +3,7 @@
// BOSampleStepper.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: BOSampleStepper.C,v 1.19 2004-12-17 23:36:54 fgygi Exp $
// $Id: BOSampleStepper.C,v 1.20 2004-12-18 23:22:47 fgygi Exp $
#include "BOSampleStepper.h"
#include "EnergyFunctional.h"
......@@ -533,11 +533,11 @@ void BOSampleStepper::step(int niter)
cout.setf(ios::fixed,ios::floatfield);
cout.setf(ios::right,ios::adjustfield);
cout << " <etotal_int> " << setw(15)
<< ef_.etotal() << " </etotal_int>\n";
<< energy << " </etotal_int>\n";
if ( compute_stress )
{
const double pext = (sigma_ext[0]+sigma_ext[1]+sigma_ext[2])/3.0;
const double enthalpy = ef_.etotal() + pext * cell.volume();
const double enthalpy = energy + pext * cell.volume();
cout << " <enthalpy_int> " << setw(15)
<< enthalpy << " </enthalpy_int>\n"
<< flush;
......
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