Class MonteCarloIntegrator#

Inheritance Relationships#

Derived Types#

Class Documentation#

class MonteCarloIntegrator

Abstract class for that handles Metropolis type Monte Carlo algorithms.

Subclassed by MonteCarloIntegratorFlipEdge, MonteCarloIntegratorSwapEdge, MonteCarloIntegratorSwapVertex, MonteCarloIntegratorVertex

Public Functions

inline MonteCarloIntegrator(SystemClass &system, VertexCompute &potentials)

MonteCarloIntegrator Constructor.

Parameters:

  • sys – pointer to the system

  • potentials – pointer to the loaded potentials

  • param – pointer to the integrator parameters

inline virtual ~MonteCarloIntegrator()

MonteCarloIntegrator Destructor.

virtual int integrate(void) = 0

abstract integrator function

Parameters:

void –

Returns:

number of successful attempts

inline real ComputeEnergyFromEdge(const int &edge_index)
inline real ComputeEnergyFromVertex(const int &vertex_index)
inline real ComputeEnergyFromFace(const int &vertex_index)
inline void set_temperature(double _T)

set the integration temperature

Parameters:

temperature –

inline virtual void update_temperature_parameters()
inline double get_temperature(void) const
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

inline int get_integrate_every() const

get name

Parameters:

temperature –

inline void set_integrate_every(int _integrate_every)
inline double get_minimum_energy() const
inline void set_minimum_energy(double _minimum_energy)
virtual void set_default_properties(void) = 0

abstract set parameters

Parameters:

void –

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

VertexCompute &_potentials

Compute potential pointer.

std::string name

Integrator name.

std::string type

integrator type, active, torque, etc

real T

Temperature of the system.

int integrate_every
double minimum_energy
int NUM_TYPES_ALLOWED