Uses of Package
ffx.algorithms.cli
Packages that use ffx.algorithms.cli
Package
Description
The Algorithms CLI package defines options for PicoCLI command line scripts.
The MC package implements a variety of Monte Carlo moves for optimization and simulation
algorithms.
The Misc package contains a few miscellaneous algorithms.
The Optimize package contains local and global optimization algorithms using pure Java and OpenMM
code paths.
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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Classes in ffx.algorithms.cli used by ffx.algorithms.cliClassDescriptionRepresents command line options for scripts that use a barostat/NPT.Represents command line options for scripts that run molecular dynamics.Represents command line options for scripts that utilize a mobile lambda particle, such as Thermodynamics.Represents command line options for scripts that calculate thermodynamics.Represents categories of thermodynamics algorithms that must be handled differently.
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Classes in ffx.algorithms.cli used by ffx.algorithms.mcClassDescriptionRepresents command line options for scripts that run molecular dynamics.
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Classes in ffx.algorithms.cli used by ffx.algorithms.miscClassDescriptionBase class for scripts in the Algorithms package, providing some key functions.
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Classes in ffx.algorithms.cli used by ffx.algorithms.optimizeClassDescriptionRepresents command line options for scripts that use a many-body expansion for global optimization.
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Classes in ffx.algorithms.cli used by ffx.algorithms.thermodynamicsClassDescriptionRepresents command line options for scripts that run molecular dynamics.Represents command line options for scripts that utilize a mobile lambda particle, such as Thermodynamics.Represents command line options for scripts that utilize variants of the Orthogonal Space Tempering (OST) algorithm.