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
-
ClassDescriptionRepresents command line options for scripts that utilize alchemistry on at least one topology.Represents command line options for scripts that support atom selections.Represents command line options for scripts that test gradients.Base class for scripts in the Potentials package, providing some key functions.Base class for scripts in the Potentials package, providing some key functions.Represents command line options for scripts that save a structure to disc.Represents command line options for scripts that perform timings for energy and optionally gradients.Represents command line options for scripts that utilize multiple physical topologies.Represents command line options for scripts that periodically write out structures.