# YAML 1.2
---
cff-version: 1.2.0
title: "LAMMPS: Large-scale Atomic/Molecular Massively Parallel Simulator"
type: software
authors:
  - family-names: "Plimpton"
    given-names: "Steven J."
  - family-names: "Kohlmeyer"
    given-names: "Axel"
    orcid: "https://orcid.org/0000-0001-6204-6475"
  - family-names: "Thompson"
    given-names: "Aidan P."
    orcid: "https://orcid.org/0000-0002-0324-9114"
  - family-names: "Moore"
    given-names: "Stan G."
  - family-names: "Berger"
    given-names: "Richard"
    orcid: "https://orcid.org/0000-0002-3044-8266"
doi: 10.5281/zenodo.3726416
license: GPL-2.0-only
url: https://www.lammps.org
repository-code: https://github.com/lammps/lammps/
keywords:
  - "Molecular Dynamics"
  - "Materials Modeling"
message: "If you are referencing LAMMPS in a publication, please cite the paper below."
preferred-citation:
  type: article
  doi: "10.1016/j.cpc.2021.108171"
  url: "https://www.sciencedirect.com/science/article/pii/S0010465521002836"
  authors:
  - family-names: "Thompson"
    given-names: "Aidan P."
    orcid: "https://orcid.org/0000-0002-0324-9114"
  - family-names: "Aktulga"
    given-names: "H. Metin"
  - family-names: "Berger"
    given-names: "Richard"
    orcid: "https://orcid.org/0000-0002-3044-8266"
  - family-names: "Bolintineanu"
    given-names: "Dan S."
  - family-names: "Brown"
    given-names: "W. Michael"
  - family-names: "Crozier"
    given-names: "Paul S."
  - family-names: "in 't Veld"
    given-names: "Pieter J."
  - family-names: "Kohlmeyer"
    given-names: "Axel"
    orcid: "https://orcid.org/0000-0001-6204-6475"
  - family-names: "Moore"
    given-names: "Stan G."
  - family-names: "Nguyen"
    given-names: "Trung Dac"
  - family-names: "Shan"
    given-names: "Ray"
  - family-names: "Stevens"
    given-names: "Mark J."
  - family-names: "Tranchida"
    given-names: "Julien"
  - family-names: "Trott"
    given-names: "Christian"
  - family-names: "Plimpton"
    given-names: "Steven J."
  title: "LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales"
  journal: "Computer Physics Communications"
  keywords:
   - Molecular dynamics
   - Materials modeling
   - Parallel algorithms
   - LAMMPS
  month: 2
  volume: 271
  issn: 0010-4655
  pages: 108171
  year: 2022
references:
 - title: "Fast Parallel Algorithms for Short-Range Molecular Dynamics"
   type: article
   journal: Journal of Computational Physics
   volume: 117
   number: 1
   pages: "1-19"
   year: 1995
   issn: 0021-9991
   doi: 10.1006/jcph.1995.1039
   url: https://www.sciencedirect.com/science/article/pii/S002199918571039X
   authors:
   - family-names: "Plimpton"
     given-names: "Steve"