source: src/ThermoStatContainer.hpp@ 0632c5

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Last change on this file since 0632c5 was a3fded, checked in by Frederik Heber <heber@…>, 15 years ago

New class ThermoStatContainer containing all parameters and changes to ConfigFileBuffer.
  • Property mode set to 100644
File size: 859 bytes
RevLine 
[a3fded]1/*
2 * ThermoStatContainer.hpp
3 *
4 * Created on: 12.06.2010
5 * Author: heber
6 */
7
8#ifndef THERMOSTATCONTAINER_HPP_
9#define THERMOSTATCONTAINER_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16class ConfigFileBuffer;
17
18#define MaxThermostats 6 //!< maximum number of thermostat entries in Ions#ThermostatNames and Ions#ThermostatImplemented
19enum thermostats { None, Woodcock, Gaussian, Langevin, Berendsen, NoseHoover }; //!< Thermostat names for output
20
21class ThermoStatContainer {
22public:
23 ThermoStatContainer();
24 ~ThermoStatContainer();
25
26 void ParseThermostats(class ConfigFileBuffer * const fb);
27
28 int Thermostat;
29 int *ThermostatImplemented;
30 char **ThermostatNames;
31 double TempFrequency;
32 double alpha;
33 double HooverMass;
34 double TargetTemp;
35 int ScaleTempStep;
36};
37
38#endif /* THERMOSTATCONTAINER_HPP_ */
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