Uses of Interface
ffx.algorithms.optimize.anneal.AnnealingSchedule
Package
Description
The Algorithms CLI package defines options for PicoCLI command line scripts.
-
Uses of AnnealingSchedule in ffx.algorithms.cli
-
Uses of AnnealingSchedule in ffx.algorithms.optimize.anneal
Modifier 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 annealingModifier and TypeMethodDescriptionSimulatedAnnealing.Schedules.generate
(int nWindows, double tLow, double tHigh) Creates an AnnealingSchedule corresponding to this enum and provided values.ModifierConstructorDescriptionFlatEndAnnealSchedule
(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.