Uses of Class
ffx.algorithms.dynamics.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).
-
Uses of Barostat in ffx.algorithms.cli
Modifier and TypeMethodDescriptionBarostatOptions.createBarostat
(MolecularAssembly assembly, CrystalPotential crystalPotential) Creates a Barostat around a CrystalPotential. -
Uses of Barostat in ffx.algorithms.thermodynamics