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<div class="lammps_version">Version: <b>19 Nov 2024</b></div>
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<li class="toctree-l1 current"><a class="reference internal" href="Intro.html">1. Introduction</a><ul class="current">
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<li class="toctree-l2 current"><a class="current reference internal" href="#">1.1. Overview of LAMMPS</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Manual_version.html">1.2. What does a LAMMPS version mean</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Intro_features.html">1.3. LAMMPS features</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Intro_nonfeatures.html">1.4. LAMMPS non-features</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Intro_portability.html">1.5. LAMMPS portability and compatibility</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Intro_opensource.html">1.6. LAMMPS open-source license</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Intro_authors.html">1.7. Authors of LAMMPS</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Intro_citing.html">1.8. Citing LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Install.html">2. Install LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Build.html">3. Build LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Run_head.html">4. Run LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Commands.html">5. Commands</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Speed.html">7. Accelerate performance</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Errors.html">11. Errors</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Library.html">1. LAMMPS Library Interfaces</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Python_head.html">2. Use Python with LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify.html">3. Modifying & extending LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Developer.html">4. Information for Developers</a></li>
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<li class="breadcrumb-item active"><span class="section-number">1.1. </span>Overview of LAMMPS</li>
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<a href="https://www.lammps.org"><img src="_static/lammps-logo.png" width="64" height="16" alt="LAMMPS Homepage"></a> | <a href="Commands_all.html">Commands</a>
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<p><span class="math notranslate nohighlight">\(\renewcommand{\AA}{\text{Å}}\)</span></p>
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<section id="overview-of-lammps">
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<h1><span class="section-number">1.1. </span>Overview of LAMMPS<a class="headerlink" href="#overview-of-lammps" title="Link to this heading"></a></h1>
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<p>LAMMPS is a classical molecular dynamics (MD) code that models ensembles
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of particles in a liquid, solid, or gaseous state. It can model atomic,
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polymeric, biological, solid-state (metals, ceramics, oxides), granular,
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coarse-grained, or macroscopic systems using a variety of interatomic
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potentials (force fields) and boundary conditions. It can model 2d or
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3d systems with sizes ranging from only a few particles up to billions.</p>
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<p>LAMMPS can be built and run on single laptop or desktop machines, but is
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designed for parallel computers. It will run in serial and on any
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parallel machine that supports the <a class="reference external" href="https://en.wikipedia.org/wiki/Message_Passing_Interface">MPI</a> message-passing
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library. This includes shared-memory multicore, multi-CPU servers and
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distributed-memory clusters and supercomputers. Parts of LAMMPS also
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support <a class="reference external" href="https://www.openmp.org">OpenMP multi-threading</a>, vectorization, and GPU
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acceleration.</p>
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<p>LAMMPS is written in C++ and requires a compiler that is at least
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compatible with the C++-11 standard. Earlier versions were written in
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F77, F90, and C++-98. See the <a class="reference external" href="https://www.lammps.org/history.html">History page</a> of the website for details. All
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versions can be downloaded as source code from the <a class="reference external" href="https://www.lammps.org">LAMMPS website</a>.</p>
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<p>LAMMPS is designed to be easy to modify or extend with new capabilities,
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such as new force fields, atom types, boundary conditions, or
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diagnostics. See the <a class="reference internal" href="Modify.html"><span class="doc">Modifying & extending LAMMPS</span></a> section of for more details.</p>
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<p>In the most general sense, LAMMPS integrates Newton’s equations of
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motion for a collection of interacting particles. A single particle can
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be an atom or molecule or electron, a coarse-grained cluster of atoms,
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or a mesoscopic or macroscopic clump of material. The interaction
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models that LAMMPS includes are mostly short-ranged in nature; some
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long-range models are included as well.</p>
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<p>LAMMPS uses neighbor lists to keep track of nearby particles. The lists
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are optimized for systems with particles that are repulsive at short
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distances, so that the local density of particles never becomes too
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large. This is in contrast to methods used for modeling plasma or
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gravitational bodies (like galaxy formation).</p>
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<p>On parallel machines, LAMMPS uses spatial-decomposition techniques with
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MPI parallelization to partition the simulation domain into subdomains
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of equal computational cost, one of which is assigned to each processor.
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Processors communicate and store “ghost” atom information for atoms that
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border their subdomain. Multi-threading parallelization and GPU
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acceleration with particle-decomposition can be used in addition.</p>
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