Base class for all moves (MC, Langevin, ...) More...

#include <move.h>

Inheritance diagram for Faunus::move::Move:

Collaboration diagram for Faunus::move::Move:

Public Member Functions
void	from_json (const json &j)

void	to_json (json &j) const
	JSON report w. statistics, output etc.

void	move (Change &change)
	Perform move and modify given change object.

void	accept (Change &change)

void	reject (Change &change)

void	setRepeat (int repeat)

virtual double	bias (Change &change, double old_energy, double new_energy)
	Extra energy not captured by the Hamiltonian. More...

	Move (Space &spc, std::string_view name, std::string_view cite)

bool	isStochastic () const
	True if move should be called stochastically.

const std::string &	getName () const

Static Public Attributes
static Random	slump
	Shared for all moves.

Protected Attributes
const std::string	name
	Name of move.

Space &	spc
	Space to operate on.

int	repeat = 1

unsigned long	number_of_attempted_moves = 0
	Counter for total number of move attempts.

Detailed Description

Base class for all moves (MC, Langevin, ...)

This will propagate the system and return a Change object that describes which parts of the system that was updated. This object is later used to calculate the energy of the change, but this is not the responsibility of the move classes.

Todo:: Privatize and rename members

Member Function Documentation

◆ bias()

double Faunus::move::Move::bias	(	Change &	change,
		double	old_energy,
		double	new_energy
	)

virtual

Extra energy not captured by the Hamiltonian.

This can be used to introduce an extra energy change that will be added to the total trial energy in the Metropolis acceptance criterion.

Typically used to include bias not contained in Energy::Hamiltonian.

Parameters

change	Change made to the system
old_energy	Energy from hamiltonian before the change (kT)
new_energy	Energy from hamiltonian after the change (kT)

Returns: Energy due to custom bias from the particular move (kT)

Reimplemented in Faunus::move::SpeciationMove, Faunus::move::ForceMove, and Faunus::move::ChainRotationMoveBase.

The documentation for this class was generated from the following files:

src/move.h
src/move.cpp

Public Member Functions

Static Public Attributes

Protected Attributes

Detailed Description

Member Function Documentation

◆ bias()