Uses of Enum Class
ffx.algorithms.dynamics.integrators.IntegratorEnum

Packages that use IntegratorEnum

Package	Description
ffx.algorithms.cli	The Algorithms CLI package defines options for PicoCLI command line scripts.
ffx.algorithms.dynamics	The Dynamics package implements molecular and stochastic dynamics using a pure Java code path and via OpenMM.
ffx.algorithms.dynamics.integrators	The Integrators package implements integrators for molecular dynamics simulations.
ffx.algorithms.optimize.anneal	The anneal package implements simulated annealing-based optimization, including an interface for annealing schedules and several concrete schedule implementations (linear, exponential, and flat-end) used to control temperature during optimization runs.

Uses of IntegratorEnum in ffx.algorithms.cli

Fields in ffx.algorithms.cli declared as IntegratorEnum

Modifier and Type	Field	Description
IntegratorEnum	DynamicsOptions.integrator	Integrator.

Methods in ffx.algorithms.cli with parameters of type IntegratorEnum

Modifier and Type	Method	Description
void	DynamicsOptions.setIntegrator(IntegratorEnum integrator)	Set the integrator.

Uses of IntegratorEnum in ffx.algorithms.dynamics

Methods in ffx.algorithms.dynamics with parameters of type IntegratorEnum

Modifier and Type	Method	Description
static MolecularDynamics	MolecularDynamics.dynamicsFactory(MolecularAssembly assembly, Potential potentialEnergy, AlgorithmListener listener, ThermostatEnum requestedThermostat, IntegratorEnum requestedIntegrator)	Method that determines whether a dynamics is done by the java implementation native to ffx or the OpenMM implementation
static MolecularDynamics	MolecularDynamics.dynamicsFactory(MolecularAssembly assembly, Potential potentialEnergy, AlgorithmListener listener, ThermostatEnum requestedThermostat, IntegratorEnum requestedIntegrator, MDEngine engine)	dynamicsFactory.

Constructors in ffx.algorithms.dynamics with parameters of type IntegratorEnum

Modifier	Constructor	Description
	MolecularDynamics(MolecularAssembly assembly, Potential potentialEnergy, AlgorithmListener listener, ThermostatEnum requestedThermostat, IntegratorEnum requestedIntegrator)	Constructor for MolecularDynamics.
	MolecularDynamicsOpenMM(MolecularAssembly assembly, Potential potential, AlgorithmListener listener, ThermostatEnum thermostat, IntegratorEnum integrator)	Constructs a MolecularDynamicsOpenMM object, to perform molecular dynamics using native OpenMM routines, avoiding the cost of communicating coordinates, gradients, and energies back and forth across the PCI bus.

Uses of IntegratorEnum in ffx.algorithms.dynamics.integrators

Methods in ffx.algorithms.dynamics.integrators that return IntegratorEnum

Modifier and Type	Method	Description
static IntegratorEnum	Integrator.parseIntegrator(String str)	Parse an integrator String into an instance of the IntegratorEnum enum.
static IntegratorEnum	IntegratorEnum.valueOf(String name)	Returns the enum constant of this class with the specified name.
static IntegratorEnum[]	IntegratorEnum.values()	Returns an array containing the constants of this enum class, in the order they are declared.

Methods in ffx.algorithms.dynamics.integrators with parameters of type IntegratorEnum

Modifier and Type	Method	Description
static boolean	IntegratorEnum.isStochastic(IntegratorEnum integrator)

Uses of IntegratorEnum in ffx.algorithms.optimize.anneal

Constructors in ffx.algorithms.optimize.anneal with parameters of type IntegratorEnum

Modifier	Constructor	Description
	SimulatedAnnealing(MolecularAssembly molecularAssembly, Potential potentialEnergy, AlgorithmListener algorithmListener, ThermostatEnum requestedThermostat, IntegratorEnum requestedIntegrator, AnnealingSchedule annealingSchedule, long mdSteps, double timeStep, boolean reInitVelocity, File dynFile)	Constructor for SimulatedAnnealing.