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root/group/branches/no-template-branch/OOPSE/libmdtools/NPTf.cpp
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Comparing:
trunk/OOPSE/libmdtools/NPTf.cpp (file contents), Revision 782 by mmeineke, Tue Sep 23 20:34:31 2003 UTC vs.
branches/no-template-branch/OOPSE/libmdtools/NPTf.cpp (file contents), Revision 831, Tue Oct 28 16:20:29 2003 UTC

# Line 1 | Line 1
1 < #include <cmath>
1 > #include <math.h>
2   #include "Atom.hpp"
3   #include "SRI.hpp"
4   #include "AbstractClasses.hpp"
# Line 244 | Line 244 | template<typename T> double NPTf<T>::getConservedQuant
244  
245    totalEnergy = tStats->getTotalE();
246  
247 <  thermostat_kinetic = fkBT* tt2 * chi * chi /
247 >  thermostat_kinetic = fkBT * tt2 * chi * chi /
248      (2.0 * eConvert);
249  
250    thermostat_potential = fkBT* integralOfChidt / eConvert;

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