1.7. Citing LAMMPS

1.7.1. Core Algorithms

Since LAMMPS is a community project, there is not a single one publication or reference that describes all of LAMMPS. The canonical publication that describes the foundation, that is the basic spatial decomposition approach, the neighbor finding, and basic communications algorithms used in LAMMPS is:

So any project using LAMMPS (or a derivative application using LAMMPS as a simulation engine) should cite this paper. A new publication describing the developments and improvements of LAMMPS in the 25 years since then is currently in preparation.

1.7.2. DOI for the LAMMPS code

LAMMPS developers use the Zenodo service at CERN to create digital object identifies (DOI) for stable releases of the LAMMPS code. There are two types of DOIs for the LAMMPS source code: 1) the canonical DOI for all versions of LAMMPS, which will always point to the latest stable release version is:

In addition there are DOIs for individual stable releases starting with the 3 March 2020 version, DOI:10.5281/zenodo.3726417

1.7.3. Home page

The LAMMPS website at https://lammps.sandia.gov/ is the canonical location for information about LAMMPS and more detailed lists of publications using LAMMPS and contributing features.

1.7.4. Citing contributions

LAMMPS has many features and uses previously published methods and algorithms or novel features. It also includes potential parameter filed for specific models. You can look up relevant publications either in the LAMMPS output to the screen, the log.cite file (which is populated with references to relevant papers through embedding them into the source code) and in the documentation of the corresponding commands or in the Howto tutorials.