Uses of Package
ffx.potential.cli
Package
Description
The Algorithms CLI package defines options for PicoCLI command line scripts.
The Potential CLI package defines reusable options for PicoCLI command line scripts.
The Utils package implements core functionality needed for using the Potential package, such as
opening and closing structure files, basic force field energy evaluations, etc.
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ClassDescriptionRepresents command line options for scripts that utilize alchemistry on at least one topology.Represents command line options for scripts that utilize multiple physical topologies.Represents command line options for scripts that periodically write out structures.
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ClassDescriptionRepresents command line options for scripts that utilize multiple physical topologies.
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ClassDescriptionRepresents command line options for scripts that support atom selections.Base class for scripts in the Potentials package, providing some key functions.
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ClassDescriptionRepresents command line options for scripts that test gradients.Base class for scripts in the Potentials package, providing some key functions.