Package ffx.algorithms.optimize.anneal

package ffx.algorithms.optimize.anneal

Related Packages

Package	Description
ffx.algorithms.optimize	The Optimize package contains local and global optimization algorithms using pure Java and OpenMM code paths.
ffx.algorithms.optimize.manybody

Class	Description
AnnealingSchedule	Temperature schedule for simulated annealing
ExpAnnealSchedule	Exponential temperature schedule for simulated annealing
FlatEndAnnealSchedule	Composite annealing schedule with flat ends (i.e. spends extra time at the low and high temperatures).
LinearAnnealSchedule	Linear temperature schedule for simulated annealing
SimulatedAnnealing	Run NVT molecular dynamics at a series of temperatures to optimize a structure.
SimulatedAnnealing.Schedules	Represents non-composite AnnealingSchedules known (i.e. not FlatEndAnnealSchedule).