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<title>2.3. Run LAMMPS from Python — LAMMPS documentation</title>
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<div class="lammps_version">Version: <b>19 Nov 2024</b></div>
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<li class="toctree-l1"><a class="reference internal" href="Intro.html">1. Introduction</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="Packages.html">6. Optional packages</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="Howto.html">8. Howto discussions</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Examples.html">9. Example scripts</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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<p class="caption" role="heading"><span class="caption-text">Programmer Guide</span></p>
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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 current"><a class="reference internal" href="Python_head.html">2. Use Python with LAMMPS</a><ul class="current">
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<li class="toctree-l2"><a class="reference internal" href="Python_overview.html">2.1. Overview</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Python_install.html">2.2. Installation</a></li>
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<li class="toctree-l2 current"><a class="current reference internal" href="#">2.3. Run LAMMPS from Python</a><ul>
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<li class="toctree-l3"><a class="reference internal" href="Python_launch.html">2.3.1. Running LAMMPS and Python in serial</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Python_launch.html#running-lammps-and-python-in-parallel-with-mpi">2.3.2. Running LAMMPS and Python in parallel with MPI</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Python_launch.html#running-python-scripts">2.3.3. Running Python scripts</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Python_create.html">2.3.4. Creating or deleting a LAMMPS object</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Python_execute.html">2.3.5. Executing commands</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Python_properties.html">2.3.6. System properties</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Python_atoms.html">2.3.7. Per-atom properties</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Python_objects.html">2.3.8. Compute, fixes, variables</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Python_scatter.html">2.3.9. Scatter/gather operations</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Python_neighbor.html">2.3.10. Neighbor list access</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Python_config.html">2.3.11. Configuration information</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Python_module.html">2.4. The <code class="docutils literal notranslate"><span class="pre">lammps</span></code> Python module</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Python_ext.html">2.5. Extending the Python interface</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Python_call.html">2.6. Calling Python from LAMMPS</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Python_formats.html">2.7. Output Readers</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Python_examples.html">2.8. Example Python scripts</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Python_error.html">2.9. Handling LAMMPS errors</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Python_trouble.html">2.10. Troubleshooting</a></li>
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</ul>
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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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<p class="caption" role="heading"><span class="caption-text">Command Reference</span></p>
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<li class="toctree-l1"><a class="reference internal" href="computes.html">Compute Styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Bibliography.html">Bibliography</a></li>
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<li class="breadcrumb-item active"><span class="section-number">2.3. </span>Run LAMMPS from Python</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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<section id="run-lammps-from-python">
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<h1><span class="section-number">2.3. </span>Run LAMMPS from Python<a class="headerlink" href="#run-lammps-from-python" title="Link to this heading"></a></h1>
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<p>After compiling the LAMMPS shared library and making it ready to use,
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you can now write and run Python scripts that import the LAMMPS Python
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module and launch LAMMPS simulations through Python scripts.
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The following pages take you through the various steps necessary,
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what functionality is available and give some examples how to use it.</p>
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<li class="toctree-l1"><a class="reference internal" href="Python_launch.html">2.3.1. Running LAMMPS and Python in serial</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Python_launch.html#running-lammps-and-python-in-parallel-with-mpi">2.3.2. Running LAMMPS and Python in parallel with MPI</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Python_launch.html#running-python-scripts">2.3.3. Running Python scripts</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Python_execute.html">2.3.5. Executing commands</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Python_properties.html">2.3.6. System properties</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Python_atoms.html">2.3.7. Per-atom properties</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Python_objects.html">2.3.8. Compute, fixes, variables</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Python_scatter.html">2.3.9. Scatter/gather operations</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Python_neighbor.html">2.3.10. Neighbor list access</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Python_config.html">2.3.11. Configuration information</a></li>
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