Langevin dynamics move using Langevin equation of motion. More...

#include <forcemove.h>

Inheritance diagram for Faunus::move::LangevinDynamics:

Collaboration diagram for Faunus::move::LangevinDynamics:

Public Member Functions
	LangevinDynamics (Space &spc, std::shared_ptr< IntegratorBase > integrator, unsigned int nsteps)

	LangevinDynamics (Space &spc, Energy::EnergyTerm &, const json &)

	LangevinDynamics (Space &spc, Energy::EnergyTerm &)

void	_to_json (json &j) const override
	Extra info for report if needed.

void	_from_json (const json &j) override
	Extra info for report if needed.

Public Member Functions inherited from Faunus::move::ForceMove
double	bias (Change &, double, double) override
	Extra energy not captured by the Hamiltonian. More...

const PointVector &	getForces () const

const PointVector &	getVelocities () const

Public Member Functions inherited from Faunus::move::Move
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)

	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

Protected Member Functions
	LangevinDynamics (Space &spc, const std::string &name, const std::string &cite, std::shared_ptr< IntegratorBase > integrator, unsigned int nsteps)

Protected Member Functions inherited from Faunus::move::ForceMove
size_t	resizeForcesAndVelocities ()
	Resize velocities and forces to match number of active particles. More...

void	generateVelocities ()
	Generate initial velocities and zero forces. More...

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

	ForceMove (Space &spc, const std::string &name, const std::string &cite, std::shared_ptr< IntegratorBase > integrator, unsigned int nsteps)

Additional Inherited Members
Static Public Attributes inherited from Faunus::move::Move
static Random	slump
	Shared for all moves.

Protected Attributes inherited from Faunus::move::ForceMove
std::shared_ptr< IntegratorBase >	integrator

unsigned int	number_of_steps
	number of integration steps to perform during a single MC move

PointVector	velocities
	Vector of velocities matching each active particle in Space.

PointVector	forces
	Vector of forces matching each active particle in Space.

Protected Attributes inherited from Faunus::move::Move
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

Langevin dynamics move using Langevin equation of motion.

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

Public Member Functions