/* * ThermoStatContainer.hpp * * Created on: 12.06.2010 * Author: heber */ #ifndef THERMOSTATCONTAINER_HPP_ #define THERMOSTATCONTAINER_HPP_ // include config.h #ifdef HAVE_CONFIG_H #include #endif class ConfigFileBuffer; #define MaxThermostats 6 //!< maximum number of thermostat entries in Ions#ThermostatNames and Ions#ThermostatImplemented enum thermostats { None, Woodcock, Gaussian, Langevin, Berendsen, NoseHoover }; //!< Thermostat names for output class ThermoStatContainer { public: ThermoStatContainer(); ~ThermoStatContainer(); void ParseThermostats(class ConfigFileBuffer * const fb); int Thermostat; int *ThermostatImplemented; char **ThermostatNames; double TempFrequency; double alpha; double HooverMass; double TargetTemp; int ScaleTempStep; }; #endif /* THERMOSTATCONTAINER_HPP_ */