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root/OpenMD/branches/development/src/brains/Thermo.cpp
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Comparing branches/development/src/brains/Thermo.cpp (file contents):
Revision 1866 by gezelter, Thu Apr 25 14:32:56 2013 UTC vs.
Revision 1870 by gezelter, Tue May 7 19:09:54 2013 UTC

# Line 233 | Line 233 | namespace OpenMD {
233  
234        kinetic *= 0.5;
235        eTemp =  (2.0 * kinetic) /
236 <        (info_->getNFluctuatingCharges() * PhysicalConstants::kb );
236 >        (info_->getNFluctuatingCharges() * PhysicalConstants::kb );            
237      
238        snap->setElectronicTemperature(eTemp);
239      }
# Line 957 | Line 957 | namespace OpenMD {
957        // Compute surface Mesh
958        surfaceMesh_->computeHull(localSites_);
959        snap->setHullVolume(surfaceMesh_->getVolume());
960 +
961 +      delete surfaceMesh_;
962      }
963 +
964      return snap->getHullVolume();
965   #else
966      return 0.0;

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