source: src/Thermostats/Langevin.hpp@ 1ca493a

/*
 * Langevin.hpp
 *
 *  Created on: Aug 20, 2010
 *      Author: crueger
 */

#ifndef LANGEVIN_HPP_
#define LANGEVIN_HPP_

// include config.h
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif

#include "Thermostats/Thermostat.hpp"

#include <boost/random/mersenne_twister.hpp>
#include <boost/random/normal_distribution.hpp>

class Langevin : public Thermostat
{
public:
  Langevin(double,double);
  Langevin();
  virtual ~Langevin();

  virtual double scaleAtoms(unsigned int step,double ActualTemp,ATOMSET(std::list) atoms);
  virtual double scaleAtoms(unsigned int step,double ActualTemp,ATOMSET(std::vector) atoms);
  virtual double scaleAtoms(unsigned int step,double ActualTemp,ATOMSET(std::set) atoms);

  virtual std::string name();
  virtual std::string writeParams();

private:
  template <class ForwardIterator>
  double doScaleAtoms(unsigned int step,double ActualTemp,ForwardIterator begin, ForwardIterator end);


  double TempFrequency;
  double alpha;

  boost::mt19937 *rng_engine;
  boost::normal_distribution<> *rng_distribution;
};

template <>
struct ThermostatTraits<class Langevin> : public ThermostatTraits<Thermostat>
{
  virtual Thermostat *make(class ConfigFileBuffer * const fb);
  virtual std::string getName();
  static const char* name;
};

#endif /* LANGEVIN_HPP_ */