Uses of Class
ffx.algorithms.dynamics.Barostat

Packages that use Barostat

Package	Description
ffx.algorithms.cli	The Algorithms CLI package defines options for PicoCLI command line scripts.
ffx.algorithms.dynamics	The Dynamics package implements molecular and stochastic dynamics using a pure Java code path and via OpenMM.
ffx.algorithms.thermodynamics	The Thermodynamics package computes free energy differences using Orthogonal Space Tempering (OST) sampling via pure Java or OpenMM (via Monte Carlo OST).

Uses of Barostat in ffx.algorithms.cli

Methods in ffx.algorithms.cli that return Barostat

Modifier and Type	Method	Description
Barostat	BarostatOptions.createBarostat(MolecularAssembly assembly, CrystalPotential crystalPotential)	Creates a Barostat around a CrystalPotential.

Uses of Barostat in ffx.algorithms.dynamics

Methods in ffx.algorithms.dynamics with parameters of type Barostat

Modifier and Type	Method	Description
void	MolecularDynamicsOpenMM.setBarostat(Barostat barostat)	Set the barostat for this MolecularDynamicsOpenMM instance.

Uses of Barostat in ffx.algorithms.thermodynamics

Fields in ffx.algorithms.thermodynamics declared as Barostat

Modifier and Type	Field	Description
protected final Barostat	OrthogonalSpaceTempering.barostat	Reference to the Barostat in use; if present this must be turned off during optimization.