Class IntegratorClass#

Inheritance Relationships#

Derived Types#

Class Documentation#

class IntegratorClass

Abstract class for is the base class for all integrators.

Subclassed by IntegratorBrownianMeshVertex, IntegratorVelocityVerletMeshVertex

Public Functions

inline IntegratorClass(SystemClass &system)

IntegratorClass Constructor.

Parameters:

  • potentials – pointer to the loaded potentials

  • param – pointer to the integrator parameters

inline virtual ~IntegratorClass()

IntegratorClass Destructor.

virtual void prestep(void) = 0

abstract pre step integrator function

Parameters:

void –

virtual void poststep(void) = 0

abstract pre step integrator function

Parameters:

void –

inline void set_temperature(const real &_T)

set the integration temperature

Parameters:

temperature –

inline virtual void update_temperature_parameters()

update the parameters that depend on the temperature

Returns:

void

inline real get_temperature(void) const

Get the temperature for the integrator object.

Returns:

real

inline virtual void set_time_step(const real &_dt)

set the integration temperature

Parameters:

temperature –

inline virtual void update_time_step_parameters()

update the parameters that depend on the time step

Returns:

void

inline real get_time_step(void) const

Get the time step for the integrator object.

Returns:

real

inline std::string get_name(void)

Get the name object.

Returns:

std::string

inline std::string get_type(void)

Get the type object.

Returns:

std::string

virtual void set_default_properties(void) = 0
inline virtual void set_property(std::map<std::string, std::map<std::pair<std::string, std::string>, std::string>> &value_map)
inline virtual void set_property(std::map<std::string, std::map<std::string, std::string>> &value_map)
inline virtual void set_property(std::map<std::string, std::string> &value_map)
inline void print_warning_calling(const std::string &message)
inline void print_warning_property_name(const std::string &message)

Protected Attributes

SystemClass &_system

reference to system class where the box and particles are stored

std::string name

Integrator name.

std::string type

integrator type, active, torque, etc

real T

Temperature of the system.

real dt

Time Step.