Uses of Package
ffx.algorithms.dynamics.thermostats

Package
Description
The Algorithms CLI package defines options for PicoCLI command line scripts.
The Dynamics package implements molecular and stochastic dynamics using a pure Java code path and via OpenMM.
The Thermostats package implements thermostats for molecular dynamics simulations.
The MC package implements a variety of Monte Carlo moves for optimization and simulation algorithms.
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.
The X-ray package implements support for X-ray and Neutron refinement.