VerletIntegrator Class Reference

This is an Integrator which simulates a System using the leap-frog Verlet algorithm. More...

#include <VerletIntegrator.h>

Inheritance diagram for VerletIntegrator:

Public Member Functions
	VerletIntegrator (double stepSize)
	Create a VerletIntegrator.
void	step (int steps)
	Advance a simulation through time by taking a series of time steps.
Public Member Functions inherited from Integrator
	Integrator ()
virtual	~Integrator ()
double	getStepSize () const
	Get the size of each time step, in picoseconds.
void	setStepSize (double size)
	Set the size of each time step, in picoseconds.
double	getConstraintTolerance () const
	Get the distance tolerance within which constraints are maintained, as a fraction of the constrained distance.
void	setConstraintTolerance (double tol)
	Set the distance tolerance within which constraints are maintained, as a fraction of the constrained distance.

Protected Member Functions
void	initialize (ContextImpl &context)
	This will be called by the Context when it is created.
void	cleanup ()
	This will be called by the Context when it is destroyed to let the Integrator do any necessary cleanup.
std::vector< std::string >	getKernelNames ()
	Get the names of all Kernels used by this Integrator.
double	computeKineticEnergy ()
	Compute the kinetic energy of the system at the current time.
Protected Member Functions inherited from Integrator
virtual void	stateChanged (State::DataType changed)
	This will be called by the Context when the user modifies aspects of the context state, such as positions, velocities, or parameters.

Additional Inherited Members
Protected Attributes inherited from Integrator
ContextImpl *	context
Context *	owner

Detailed Description

This is an Integrator which simulates a System using the leap-frog Verlet algorithm.

Constructor & Destructor Documentation

VerletIntegrator ( double  stepSize )

explicit

Create a VerletIntegrator.

Parameters

stepSize

the step size with which to integrator the system (in picoseconds)

Member Function Documentation

void cleanup ( )

protectedvirtual

This will be called by the Context when it is destroyed to let the Integrator do any necessary cleanup.

It will also get called again if the application calls reinitialize() on the Context.

Reimplemented from Integrator.

double computeKineticEnergy ( )

protectedvirtual

Compute the kinetic energy of the system at the current time.

Implements Integrator.

std::vector<std::string> getKernelNames ( )

protectedvirtual

Get the names of all Kernels used by this Integrator.

Implements Integrator.

void initialize ( ContextImpl &  context )

protectedvirtual

This will be called by the Context when it is created.

It informs the Integrator of what context it will be integrating, and gives it a chance to do any necessary initialization. It will also get called again if the application calls reinitialize() on the Context.

Implements Integrator.

void step ( int  steps )

virtual

Advance a simulation through time by taking a series of time steps.

Parameters

steps

the number of time steps to take

Implements Integrator.

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

• VerletIntegrator.h