See: Description
Interface  Description 

Integrator.Forcible 
Integrator agent that holds a force vector.

Integrator.Torquable 
Integrator agent that holds a torque vector.

IntegratorHard.CollisionListener  
IntegratorPT.MCMoveSwap 
Interface for a move that swaps two boxes.

IntegratorPT.MCMoveSwapFactory 
Interface for a class that can make a MCMove that will swap
the configurations of two boxes.

Class  Description 

Integrator 
Integrator implements the algorithm used to move the atoms around and
generate new configurations in one or more boxs.

IntegratorAnalytic 
Integrator that generates atom trajectories from an analytic formula.

IntegratorAnalytic.AtomTimeAction 
Extends AtomAction class to add a method to set the time.

IntegratorBox 
Integrator implements the algorithm used to move the atoms around and
generate new configurations in one or more boxs.

IntegratorConNVT 
Constant NVT Molecular Dynamics IntegratorConstraint Method
Uses a modified version of the Leap Frog Algorithm.

IntegratorConNVT.Agent  
IntegratorEvent 
Event object given to registered listeners when an integrator fires
any type event.

IntegratorEvent.Type  
IntegratorEventManager  
IntegratorGear4 
Gear 4thorder predictorcorrector integrator.

IntegratorGear4.Agent  
IntegratorGear4NPH 
Gear 4thorder predictorcorrector integrator for constant enthalphy, pressure.

IntegratorGear4NPH.EnsembleToggler  
IntegratorGear4NPH.ForceSumNPH  
IntegratorGear4NPH.MeterEnthalpy  
IntegratorGEMC 
Simple Gibbsensemble Monte Carlo integrator.

IntegratorHard 
Integrator for hard potentials.

IntegratorHard.Agent 
Agent defined by this integrator.

IntegratorHard.CollisionHandlerUp  
IntegratorManagerMC 
Integrator manages other Integrators which either act on a Box, or manager
still other Integrators.

IntegratorMC 
Integrator to perform Metropolis Monte Carlo sampling.

IntegratorMD 
Superclass of all moleculardynamics integrators.

IntegratorMD.ThermostatType  
IntegratorMD.VectorSource  
IntegratorNonintervalEvent 
Event thrown by integrator when it announces reaching special points in the
simulation process, such as its beginning and end.

IntegratorNonintervalEvent.NonintervalEventType  
IntegratorPT 
Paralleltempering integrator.

IntegratorPT.BoxTracker 
Meter that tracks the swapping of the boxes in paralleltempering
simulation.

IntegratorRigidIterative  
IntegratorRigidIterative.MoleculeAgent  
IntegratorRigidMatrixIterative 
Integrator implementation of Omelyan's leapfrog integrator for rotational
motion.

IntegratorRigidMatrixIterative.AtomAgent  
IntegratorRigidMatrixIterative.BoxImposePbcMolecule  
IntegratorRigidMatrixIterative.MoleculeAgent  
IntegratorVelocityVerlet  
IntegratorVelocityVerlet.MyAgent  
IntegratorVelocityVerletRattle 
Integrator implementing RATTLE algorithm.

IntegratorVelocityVerletShake 
Integrator implementing SHAKE algorithm.

IntegratorVelocityVerletShake.BondConstraints  
IntegratorVerlet  
IntegratorVerlet.Agent 
ActivityIntegrate
instance.
The Integrator maintains a list of IntegratorListeners, which are notified when the Integrator starts, is reset, and finishes or, for IntegratorIntervalListeners, when the integrators completes a specified number of doStep calls. Although the listeners are kept by the Integrator, firing of the event is performed by the Activity running the Integrator. Arbitrary Actions can be performed in response to an IntegratorEvent through the use of an IntervalActionAdapter.
The general categories of Integrator are IntegratorMD, for molecular dynamics, and IntegratorMC, for Monte Carlo. Molecular dynamics integration of hard potentials requires the use of a special integrator, IntegratorHard. IntegratorMC holds a set of MCMove instances which define the types of Monte Carlo trials that are performed in the simulation.
To use an Integrator, add the instance to a new ActivityIntegrate instance, and add the ActivityIntegrate to the Simulation's Controller. The Box upon which the Integrator acts must be set before beginning the simulation. Some Integrators require the specification of multiple boxs. It can also be helpful to invoke the register method in the governing Simulation, passing the Integrator instance; this will cause the Integrator to be reset when the Simulation is reset to a new (or initial) condition.