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<title>3. Modifying & extending LAMMPS — 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="Speed.html">7. Accelerate performance</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"><a class="reference internal" href="Python_head.html">2. Use Python with LAMMPS</a></li>
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<li class="toctree-l1 current"><a class="current reference internal" href="#">3. Modifying & extending LAMMPS</a><ul>
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<li class="toctree-l2"><a class="reference internal" href="Modify_overview.html">3.1. Overview</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Modify_contribute.html">3.2. Submitting new features for inclusion in LAMMPS</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Modify_requirements.html">3.3. Requirements for contributions to LAMMPS</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Modify_style.html">3.4. LAMMPS programming style</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Modify_atom.html">3.5. Atom styles</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Modify_pair.html">3.6. Pair styles</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Modify_bond.html">3.7. Bond, angle, dihedral, improper styles</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Modify_compute.html">3.8. Compute styles</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Modify_fix.html">3.9. Fix styles</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Modify_command.html">3.10. Input script command style</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Modify_dump.html">3.11. Dump styles</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Modify_kspace.html">3.12. Kspace styles</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Modify_min.html">3.13. Minimization styles</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Modify_region.html">3.14. Region styles</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Modify_body.html">3.15. Body styles</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Modify_gran_sub_mod.html">3.16. Granular Sub-Model styles</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Modify_thermo.html">3.17. Thermodynamic output options</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Modify_variable.html">3.18. Variable options</a></li>
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</ul>
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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="commands_list.html">Commands</a></li>
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<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fix Styles</a></li>
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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="pairs.html">Pair Styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle 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="impropers.html">Improper Styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="dumps.html">Dump Styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="fix_modify_atc_commands.html">fix_modify AtC commands</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">3. </span>Modifying & extending 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="modifying-extending-lammps">
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<h1><span class="section-number">3. </span>Modifying & extending LAMMPS<a class="headerlink" href="#modifying-extending-lammps" title="Link to this heading"></a></h1>
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<p>LAMMPS has a modular design, so that it is easy to modify or extend with
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new functionality. In fact, about 95% of its source code is optional.
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The following pages give basic instructions on adding new features to
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LAMMPS. More in-depth explanations and documentation of individual
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functions and classes are given in <a class="reference internal" href="Developer.html"><span class="doc">Information for Developers</span></a>.</p>
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<p>If you add a new feature to LAMMPS and think it will be of general
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interest to other users, we encourage you to submit it for inclusion in
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LAMMPS. This process is explained in the following three pages:</p>
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<ul class="simple">
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<li><p><a class="reference internal" href="Modify_contribute.html"><span class="doc">how to prepare and submit your code</span></a></p></li>
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<li><p><a class="reference internal" href="Modify_requirements.html"><span class="doc">requirements for submissions</span></a></p></li>
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<li><p><a class="reference internal" href="Modify_style.html"><span class="doc">style guidelines</span></a></p></li>
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</ul>
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<p>A summary description of various types of styles in LAMMPS follows.
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A discussion of implementing specific styles from scratch is given
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in <a class="reference internal" href="Developer_write.html"><span class="doc">writing new styles</span></a>.</p>
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<div class="toctree-wrapper compound">
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<ul>
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<li class="toctree-l1"><a class="reference internal" href="Modify_overview.html">3.1. Overview</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify_contribute.html">3.2. Submitting new features for inclusion in LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify_requirements.html">3.3. Requirements for contributions to LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify_style.html">3.4. LAMMPS programming style</a></li>
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</ul>
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</div>
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<div class="toctree-wrapper compound">
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<ul>
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<li class="toctree-l1"><a class="reference internal" href="Modify_atom.html">3.5. Atom styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify_pair.html">3.6. Pair styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify_bond.html">3.7. Bond, angle, dihedral, improper styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify_compute.html">3.8. Compute styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify_fix.html">3.9. Fix styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify_command.html">3.10. Input script command style</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify_dump.html">3.11. Dump styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify_kspace.html">3.12. Kspace styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify_min.html">3.13. Minimization styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify_region.html">3.14. Region styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify_body.html">3.15. Body styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify_gran_sub_mod.html">3.16. Granular Sub-Model styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify_thermo.html">3.17. Thermodynamic output options</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify_variable.html">3.18. Variable options</a></li>
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</ul>
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