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root/OpenMD/trunk/src/integrators/NPrT.cpp
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Comparing trunk/src/integrators/NPrT.cpp (file contents):
Revision 540 by tim, Fri May 20 19:27:03 2005 UTC vs.
Revision 927 by tim, Fri Mar 31 18:09:22 2006 UTC

# Line 57 | Line 57 | namespace oopse {
57        painCave.isFatal = 1;
58        simError();
59      } else {
60 <      surfaceTension= simParams->getSurfaceTension();
60 >      surfaceTension= simParams->getSurfaceTension()* OOPSEConstant::surfaceTensorConvert * OOPSEConstant::energyConvert;
61      }
62  
63    }
# Line 175 | Line 175 | namespace oopse {
175      double area = hmat(0,0) * hmat(1, 1);
176  
177      double conservedQuantity = totalEnergy + thermostat_kinetic + thermostat_potential +
178 <      barostat_kinetic + barostat_potential - surfaceTension * area;
178 >      barostat_kinetic + barostat_potential - surfaceTension * area/ OOPSEConstant::energyConvert;
179  
180      return conservedQuantity;
181  

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