7. PackagesΒΆ

This section gives a quick overview of the add-on packages that extend LIGGGHTS(R)-PUBLIC functionality.

LIGGGHTS(R)-PUBLIC includes optional packages, which are groups of files that enable a specific set of features. For example, force fields for molecular systems or granular systems are in packages. You can see the list of all packages by typing “make package” from within the src directory of the LIGGGHTS(R)-PUBLIC distribution.

See Section_start 3 of the manual for details on how to include/exclude specific packages as part of the LIGGGHTS(R)-PUBLIC build process, and for more details about the differences between standard packages and user packages in LIGGGHTS(R)-PUBLIC.

Below, the packages currently availabe in LIGGGHTS(R)-PUBLIC are listed. For standard packages, just a one-line description is given:

Package Description Author(s) Doc page Example Library
MOLECULE molecular system force fields
POEMS coupled rigid body motion Rudra Mukherjee (JPL) fix poems rigid lib/poems
VORONOI Voronoi tesselations Daniel Schwen (LANL) compute voronoi/atom

The “Doc page” column links to either a portion of the Section_howto of the manual, or an input script command implemented as part of the package.

The “Example” column is a sub-directory in the examples directory of the distribution which has an input script that uses the package. E.g. “peptide” refers to the examples/peptide directory.

The “Library” column lists an external library which must be built first and which LIGGGHTS(R)-PUBLIC links to when it is built. If it is listed as lib/package, then the code for the library is under the lib directory of the LIGGGHTS(R)-PUBLIC distribution. See the lib/package/README file for info on how to build the library. If it is not listed as lib/package, then it is a third-party library not included in the LIGGGHTS(R)-PUBLIC distribution. See the src/package/README or src/package/Makefile.lammps file for info on where to download the library. Section start of the manual also gives details on how to build LIGGGHTS(R)-PUBLIC with both kinds of auxiliary libraries.