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