Uses of Package
ffx.algorithms.optimize.anneal
Packages that use ffx.algorithms.optimize.anneal
Package
Description
The Algorithms CLI package defines options for PicoCLI command line scripts.
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.
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Classes in ffx.algorithms.optimize.anneal used by ffx.algorithms.cliClassDescriptionTemperature schedule for simulated annealingRun NVT molecular dynamics at a series of temperatures to optimize a structure.
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Classes in ffx.algorithms.optimize.anneal used by ffx.algorithms.commandsClassDescriptionRun NVT molecular dynamics at a series of temperatures to optimize a structure.
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Classes in ffx.algorithms.optimize.anneal used by ffx.algorithms.optimize.annealClassDescriptionTemperature schedule for simulated annealingRepresents non-composite AnnealingSchedules known (i.e. not FlatEndAnnealSchedule).