Package ffx.potential.cli

@ParametersAreNonnullByDefault package ffx.potential.cli

The Potential CLI package defines reusable options for PicoCLI command line scripts.

Since:

1.0

Author:

Michael J. Schnieders

Related Packages

Package	Description
ffx.potential	The Potential package implements molecular mechanics force fields with shared memory Parallel Java and via OpenMM.

Classes

Class	Description
AlchemicalOptions	Represents command line options for scripts that utilize alchemistry on at least one topology.
AtomSelectionOptions	Represents command line options for scripts that support atom selections.
GradientOptions	Represents command line options for scripts that test gradients.
PotentialCommand	Base class for scripts in the Potentials package, providing some key functions.
PotentialScript	Base class for scripts in the Potentials package, providing some key functions.
SaveOptions	Represents command line options for scripts that save a structure to disc.
TimerOptions	Represents command line options for scripts that perform timings for energy and optionally gradients.
TopologyOptions	Represents command line options for scripts that utilize multiple physical topologies.
WriteoutOptions	Represents command line options for scripts that periodically write out structures.