source: src/Thermostats/NoseHoover.hpp@ fff54f

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Last change on this file since fff54f was 14c57a, checked in by Tillmann Crueger <crueger@…>, 15 years ago

Made all parts of the programm use the new thermostat structure
  • Property mode set to 100644
File size: 1.2 KB
RevLine 
[194649]1/*
2 * NoseHoover.hpp
3 *
4 * Created on: Aug 20, 2010
5 * Author: crueger
6 */
7
8#ifndef NOSEHOOVER_HPP_
9#define NOSEHOOVER_HPP_
10
11#include "Thermostats/Thermostat.hpp"
12
13class NoseHoover : public Thermostat
14{
15public:
[579a81]16 NoseHoover(double _HooverMass);
[3e4162]17 NoseHoover();
[194649]18 virtual ~NoseHoover();
19
[579a81]20 virtual double scaleAtoms(unsigned int step,double ActualTemp,ATOMSET(std::list) atoms);
21 virtual double scaleAtoms(unsigned int step,double ActualTemp,ATOMSET(std::vector) atoms);
22 virtual double scaleAtoms(unsigned int step,double ActualTemp,ATOMSET(std::set) atoms);
[194649]23
[579a81]24 virtual std::string name();
25 virtual std::string writeParams();
[194649]26
27private:
28 template <class ForwardIterator>
29 void init(unsigned int step,ForwardIterator begin, ForwardIterator end);
30 template <class ForwardIterator>
[579a81]31 double doScaleAtoms(unsigned int step,double ActualTemp,ForwardIterator begin, ForwardIterator end);
[194649]32
[579a81]33 double HooverMass;
[194649]34 double delta_alpha;
[c0c650]35 double alpha;
[194649]36 int count;
37};
38
[579a81]39template <>
[0b882a]40struct ThermostatTraits<class NoseHoover> : public ThermostatTraits<Thermostat>
41{
[c0c650]42 virtual Thermostat *make(class ConfigFileBuffer * const fb);
[14c57a]43 virtual std::string getName();
44 static const char* name;
[579a81]45};
46
47
[194649]48#endif /* NOSEHOOVER_HPP_ */
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