Uses of Class
ffx.openmm.Integrator

Packages that use Integrator

Package	Description
ffx.openmm	The OpenMM package includes Java classes that are analogues of the OpenMM C++ API.
ffx.openmm.drude	The Drude package includes Java classes that are analogues of the OpenMM C++ API for the Charmm Drude model.
ffx.potential.openmm	The openmm package contains utilities to construct and run Force Field X potentials on the OpenMM platform, including system builders, custom forces, alchemical fixed-charge forces, and integrators tailored to FFX simulations.

Uses of Integrator in ffx.openmm

Subclasses of Integrator in ffx.openmm

Modifier and Type	Class	Description
class	BrownianIntegrator	This is an Integrator which simulates a System using Brownian dynamics.
class	CompoundIntegrator	This class allows you to use multiple integration algorithms within a single simulation, switching back and forth between them.
class	CustomIntegrator	This is an Integrator that can be used to implemented arbitrary, user defined integration algorithms.
class	LangevinIntegrator	This is an Integrator which simulates a System using Langevin dynamics.
class	LangevinMiddleIntegrator	This is an Integrator which simulates a System using Langevin dynamics, with the LFMiddle discretization (J.
class	NoseHooverIntegrator	This is an Integrator which simulates a System using one or more Nose Hoover chain thermostats, using the "middle" leapfrog propagation algorithm described in J.
class	VariableLangevinIntegrator	This class implements a Langevin integrator with variable time stepping.
class	VariableVerletIntegrator	This class implements a Verlet integrator with variable time stepping.
class	VerletIntegrator	Verlet Integrator.

Fields in ffx.openmm declared as Integrator

Modifier and Type	Field	Description
protected Integrator	Context.integrator	The integrator used for this context.

Methods in ffx.openmm that return Integrator

Modifier and Type	Method	Description
Integrator	Context.getIntegrator()	Get Integrator being used by this context.

Methods in ffx.openmm with parameters of type Integrator

Modifier and Type	Method	Description
int	CompoundIntegrator.addIntegrator(Integrator integrator)	Add an Integrator to this CompoundIntegrator.
void	Context.updateContext(System system, Integrator integrator, Platform platform)	Update the context.

Constructors in ffx.openmm with parameters of type Integrator

Modifier	Constructor	Description
	Context(System system, Integrator integrator, Platform platform)	Construct a new Context in which to run a simulation, explicitly specifying what Platform should be used to perform calculations.

Uses of Integrator in ffx.openmm.drude

Subclasses of Integrator in ffx.openmm.drude

Modifier and Type	Class	Description
class	DrudeIntegrator	A base class to encapsulate features common to Drude integrators.
class	DrudeLangevinIntegrator	This Integrator simulates systems that include Drude particles.
class	DrudeNoseHooverIntegrator	This Integrator simulates systems that include Drude particles.
class	DrudeSCFIntegrator	This is a leap-frog Verlet Integrator that simulates systems with Drude particles.

Uses of Integrator in ffx.potential.openmm

Subclasses of Integrator in ffx.potential.openmm

Modifier and Type	Class	Description
class	CustomMTSIntegrator	OpenMM Custom MTS Integrator.
class	CustomMTSLangevinIntegrator	OpenMM Custom MTS Langevin Integrator.

Methods in ffx.potential.openmm that return Integrator

Modifier and Type	Method	Description
static Integrator	OpenMMIntegrator.createIntegrator(String name, double timeStep, double temperature, OpenMMSystem openMMSystem)	Create a integrator.