Uses of Class
ffx.algorithms.dynamics.Barostat
Packages that use Barostat
Package
Description
The Algorithms CLI package defines options for PicoCLI command line scripts.
The Thermodynamics package computes free energy differences using Orthogonal Space Tempering
(OST) sampling via pure Java or OpenMM (via Monte Carlo OST).
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Uses of Barostat in ffx.algorithms.cli
Methods in ffx.algorithms.cli that return BarostatModifier and TypeMethodDescriptionBarostatOptions.createBarostat
(MolecularAssembly assembly, CrystalPotential crystalPotential) Creates a Barostat around a CrystalPotential. -
Uses of Barostat in ffx.algorithms.thermodynamics
Fields in ffx.algorithms.thermodynamics declared as Barostat