Class MonteCarloIntegrator#

Defined in File montecarlointegrator.hpp

Inheritance Relationships#

Derived Types#

public MonteCarloIntegratorFlipEdge (Class MonteCarloIntegratorFlipEdge)
public MonteCarloIntegratorSwapEdge (Class MonteCarloIntegratorSwapEdge)
public MonteCarloIntegratorSwapVertex (Class MonteCarloIntegratorSwapVertex)
public MonteCarloIntegratorVertex (Class MonteCarloIntegratorVertex)

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#