Package ffx.openmm

Class VerletIntegrator

java.lang.Object

ffx.openmm.Integrator

ffx.openmm.VerletIntegrator

public class VerletIntegrator
extends Integrator

Verlet Integrator.

Field Summary

Fields inherited from class ffx.openmm.Integrator

pointer

Constructor Summary

Constructors

Constructor	Description
VerletIntegrator(double dt)	Constructor.

Method Summary

Modifier and Type	Method	Description
void	destroy()	Destroy the integrator.
void	step(int steps)	Step the integrator.

Methods inherited from class ffx.openmm.Integrator

getPointer, setConstraintTolerance, setPointer

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details

VerletIntegrator

public VerletIntegrator(double dt)

Constructor.

Parameters:

dt - The time step.

Method Details

step

public void step(int steps)

Step the integrator.

Overrides:

step in class Integrator

Parameters:

steps - The number of steps to take.

destroy

public void destroy()

Destroy the integrator.

Overrides:

destroy in class Integrator