MonteCarlo.h

   1 /*
   2  * MonteCarlo.h
   3  *
   4  *  Created on: Feb 5, 2010
   5  *      Author: rieger
   6  */
   7
   8 #ifndef MONTECARLO_H_
   9 #define MONTECARLO_H_
  10
  11 #include "Structure.h"
  12 #include "Interactions.h"
  13
  14
  15 class MonteCarlo {
  16         long mcSteps;
  17         double temperature;
  18         static const double kBoltzmann = 8.617386e-05;// in eV*K^-1
  19         Structure mcStructure;
  20         void mcMove();
  21         void mcSnapshot();
  22 };
  23
  24
  25 #endif /* MONTECARLO_H_ */