# lammps/lammps

Public development project of the LAMMPS MD software package

Repository: https://github.com/lammps/lammps
Canonical: https://ross.abutalabs.com/products/lammps
Homepage: https://www.lammps.org
Language: C++
License: GPL-2.0
License Family: copyleft
Topics: molecular-dynamics, lammps, simulation, kokkos
Last push: 2026-08-26T16:06:20+00:00

## Health v2 (maintenance only)
Score: 94/100 (v2, computed 2026-09-02T17:46:02.011165+00:00)
- activity 99, release rhythm 84, longevity 100
- inputs: {"age_days": 4772, "days_push": 7, "days_rel": 25, "gap_med": 72, "n_releases_24m": 10}
- flags: none
- formula: round(0.45*activity + 0.35*rhythm + 0.20*longevity); archived -> min(score, 10)

## Adoption (not part of the score)
Stars 3029, forks 2030 (observed 2026-08-28T04:07:38.869081+00:00)

## What it is
LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is an open-source classical molecular dynamics simulation code focused on materials modeling, developed originally at Sandia National Laboratories. It runs efficiently on parallel computers via MPI, OpenMP, and GPU acceleration (CUDA, OpenCL, HIP, SYCL, Kokkos), and can be used as a standalone executable or embedded as a library with C++, Fortran, and Python interfaces.

## Use cases
- simulate atoms and molecules with molecular dynamics
- model materials like metals, semiconductors, and polymers
- run large-scale parallel MD simulations on HPC clusters
- simulate biomolecules, polymers, and coarse-grained systems
- run molecular dynamics on GPUs
- use machine-learned interatomic potentials for atomistic simulation
- model granular and mesoscopic particle systems
- couple MD simulation with other codes via a library interface

## When to choose
- you need a mature, widely-cited classical MD code with hundreds of interatomic potentials
- you need massive parallelism across CPUs and GPUs on HPC clusters
- you need an extensible, scriptable simulator that can be embedded as a library
- you work in materials science, chemistry, or condensed matter physics

## When to avoid
- you need quantum-mechanical (ab initio) simulation rather than classical MD
- you need a simple GUI-driven tool for small educational simulations
- you need a general-purpose game or graphics particle engine rather than scientific simulation

## Facets
- artifact type: application
- maturity: stable
- function: simulation, gpu-computing, concurrency, sdk, benchmarking
- domain: simulation, chemistry, machine-learning
- platform: windows, cpp, python, cross-platform
- tags: molecular-dynamics, hpc, mpi, kokkos, materials-modeling, particle-simulation, force-fields, scientific-computing, physics, materials-science, linux, macos, gpu

## Member repositories
- lammps/lammps (main) score 94

## Provenance
- Observed fields: from GitHub, fetched 2026-08-28T04:07:38.869081+00:00.
- Health v2: computed from the inputs above; adoption is never an input.
- Inferred fields (summary, facets, guidance): AI-extracted, prompt v1, taxonomy v1, on 2026-08-30T07:29:50.774952+00:00, confidence not recorded.
  - readme: https://github.com/lammps/lammps (fetched 2026-08-28T04:07:38.869081+00:00, sha c1f3e077f993)
  - homepage: https://www.lammps.org (fetched 2026-08-29T09:45:14.123751+00:00, sha 17e197349bd5)
  - site_page: https://docs.lammps.org/Intro_features.html (fetched 2026-08-29T09:45:14.132793+00:00, sha b760641e98ab)
  - site_page: https://www.lammps.org/about/developers (fetched 2026-08-29T09:45:14.134753+00:00, sha 84f0905f34ab)
  - site_page: https://www.lammps.org/about/contributors (fetched 2026-08-29T09:45:14.136391+00:00, sha 37508e43f570)
  - site_page: https://www.lammps.org/about/governance (fetched 2026-08-29T09:45:14.139175+00:00, sha 0878c73d3fe6)
  - site_page: https://www.lammps.org/about/charter (fetched 2026-08-29T09:45:14.141366+00:00, sha cb717391fdbd)
  - site_page: https://www.lammps.org/about/funding (fetched 2026-08-29T09:45:14.143358+00:00, sha 2fad1cc8b53f)
  - site_page: https://www.lammps.org/about/history (fetched 2026-08-29T09:45:14.144958+00:00, sha 2ab0090a22b2)
  - site_page: https://www.lammps.org/about/citing (fetched 2026-08-29T09:45:14.146851+00:00, sha ba2582b3f257)
- Data as of 2026-08-30T08:39:29.467469+00:00.