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root/OpenMD/trunk/src/integrators/RNEMD.hpp
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Comparing trunk/src/integrators/RNEMD.hpp (file contents):
Revision 1561 by gezelter, Wed May 11 19:04:40 2011 UTC vs.
Revision 1604 by jmichalk, Mon Aug 8 18:53:40 2011 UTC

# Line 105 | Line 105 | namespace OpenMD {
105      SelectionManager seleMan_;
106      bool usePeriodicBoundaryConditions_;
107      bool output3DTemp_;
108 <    int nBins_;
108 >    int nBins_; /**< The number of bins to divide the simulation box into.  */
109 >    /*!
110 >      The middle bin for the RNEMD method. midBin_ = nBins_/2;
111 >      Depending on the setting of the flux, this box should contain the minimum energy (temperature)
112 >      within the simulation.
113 >    */
114      int midBin_;
115 <    int rnemdLogWidth_;
115 >    int rnemdLogWidth_; /**< Number of elements to print out in logs */
116      RealType zShift_;
117      RealType exchangeTime_;
118      RealType targetFlux_;

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