MolSim-WS23-24/docs/AbsoluteThermostat_8h_source.html

 #pragma once


 #include <limits>

 #include <memory>


 #include "particles/containers/ParticleContainer.h"

 #include "physics/thermostats/Thermostat.h"


 class AbsoluteThermostat : public Thermostat {

    public:

     AbsoluteThermostat(double target_temperature, double max_temperature_change = std::numeric_limits<double>::max(),

                        ThirdDimension third_dimension = ThirdDimension::ENABLED);


     void scaleTemperature(const std::unique_ptr<ParticleContainer>& particle_container) const override;


     double getContainerKineticEnergy(const std::unique_ptr<ParticleContainer>& particle_container) const;


     double getCurrentContainerTemperature(const std::unique_ptr<ParticleContainer>& particle_container) const override;

 };

ThirdDimension
ThirdDimension
Enum class to define the dimension count of the simulation (2D or 3D). Affects primarily the dimensio...
Definition: Enums.h:7

ThirdDimension::ENABLED
@ ENABLED

ParticleContainer.h

Thermostat.h

AbsoluteThermostat
A basic thermostat that can be used to control the temperature of a particle container....
Definition: AbsoluteThermostat.h:18

AbsoluteThermostat::getCurrentContainerTemperature
double getCurrentContainerTemperature(const std::unique_ptr< ParticleContainer > &particle_container) const override
Get the current temperature of a particle container.
Definition: AbsoluteThermostat.cpp:33

AbsoluteThermostat::getContainerKineticEnergy
double getContainerKineticEnergy(const std::unique_ptr< ParticleContainer > &particle_container) const
Get the kinetic energy of all particles in a particle container.
Definition: AbsoluteThermostat.cpp:23

AbsoluteThermostat::AbsoluteThermostat
AbsoluteThermostat(double target_temperature, double max_temperature_change=std::numeric_limits< double >::max(), ThirdDimension third_dimension=ThirdDimension::ENABLED)
Construct a new Thermostat object.
Definition: AbsoluteThermostat.cpp:7

AbsoluteThermostat::scaleTemperature
void scaleTemperature(const std::unique_ptr< ParticleContainer > &particle_container) const override
Scale the temperature of a particle container towards the target temperature. Capped by the maximum t...
Definition: AbsoluteThermostat.cpp:10

Thermostat
A thermostat that can be used to control the temperature of a particle container. Allows for gradual ...
Definition: Thermostat.h:13

Thermostat::max_temperature_change
const double max_temperature_change
The maximum temperature change allowed per thermostat application.
Definition: Thermostat.h:94

Thermostat::target_temperature
const double target_temperature
The target temperature for thermostat applications.
Definition: Thermostat.h:89

Thermostat::third_dimension
const ThirdDimension third_dimension
Defines whether the third dimension is enabled.
Definition: Thermostat.h:99