Package ffx.algorithms.dynamics.thermostats

@ParametersAreNonnullByDefault package ffx.algorithms.dynamics.thermostats

The Thermostats package implements thermostats for molecular dynamics simulations.

Since:

1.0

Related Packages

Package	Description
ffx.algorithms.dynamics	The Dynamics package implements molecular and stochastic dynamics using a pure Java code path and via OpenMM.
ffx.algorithms.dynamics.integrators	The Integrators package implements integrators for molecular dynamics simulations.

Class	Description
Adiabatic	The Adiabatic thermostat is for NVE simulations and does not alter particle velocities.
Berendsen	Thermostat a molecular dynamics trajectory to an external bath using the Berendsen weak-coupling thermostat.
Bussi	Thermostat a molecular dynamics trajectory to an external bath using the Bussi, Donadio, and Parrinello method.
Thermostat	The abstract Thermostat class implements methods common to all thermostats for initializing velocities from a Maxwell-Boltzmann distribution and computing the instantaneous temperature.
ThermostatEnum	An enumeration of available Thermostats.