Uses of Interface
ffx.algorithms.optimize.anneal.AnnealingSchedule
Packages that use AnnealingSchedule
Package
Description
The Algorithms CLI package defines options for PicoCLI command line scripts.
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Uses of AnnealingSchedule in ffx.algorithms.cli
Methods in ffx.algorithms.cli that return AnnealingSchedule -
Uses of AnnealingSchedule in ffx.algorithms.optimize.anneal
Classes in ffx.algorithms.optimize.anneal that implement AnnealingScheduleModifier and TypeClassDescriptionclass
Exponential temperature schedule for simulated annealingclass
Composite annealing schedule with flat ends (i.e. spends extra time at the low and high temperatures).class
Linear temperature schedule for simulated annealingMethods in ffx.algorithms.optimize.anneal that return AnnealingScheduleModifier and TypeMethodDescriptionSimulatedAnnealing.Schedules.generate
(int nWindows, double tLow, double tHigh) Creates an AnnealingSchedule corresponding to this enum and provided values.Constructors in ffx.algorithms.optimize.anneal with parameters of type AnnealingScheduleModifierConstructorDescriptionFlatEndAnnealSchedule
(AnnealingSchedule middle, double tLow, double tHigh, double lengthBefore, double lengthAfter) Creates a flat-ended annealing schedule based on a provided schedule for the middle, which is flat for some number of steps at the ends.SimulatedAnnealing
(MolecularAssembly molecularAssembly, Potential potentialEnergy, AlgorithmListener algorithmListener, ThermostatEnum requestedThermostat, IntegratorEnum requestedIntegrator, AnnealingSchedule annealingSchedule, long mdSteps, double timeStep, boolean reInitVelocity, File dynFile) Constructor for SimulatedAnnealing.