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root/group/trunk/OOPSE/libmdtools/NPTf.cpp
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Comparing trunk/OOPSE/libmdtools/NPTf.cpp (file contents):
Revision 786 by mmeineke, Tue Sep 23 20:34:31 2003 UTC vs.
Revision 787 by mmeineke, Thu Sep 25 19:27:15 2003 UTC

# 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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