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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 current"><a class="reference internal" href="Howto.html">8. Howto discussions</a><ul class="current">
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<li class="toctree-l2 current"><a class="reference internal" href="Howto.html#general-howto">8.1. General howto</a><ul class="current">
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<li class="toctree-l3"><a class="reference internal" href="Howto_restart.html">8.1.1. Restart a simulation</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Howto_viz.html">8.1.2. Visualize LAMMPS snapshots</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Howto_multiple.html">8.1.3. Run multiple simulations from one input script</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Howto_replica.html">8.1.4. Multi-replica simulations</a></li>
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<li class="toctree-l3 current"><a class="current reference internal" href="#">8.1.5. Library interface to LAMMPS</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Howto_couple.html">8.1.6. Coupling LAMMPS to other codes</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Howto_mdi.html">8.1.7. Using LAMMPS with the MDI library for code coupling</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Howto_broken_bonds.html">8.1.8. Broken Bonds</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Howto.html#settings-howto">8.2. Settings howto</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Howto.html#analysis-howto">8.3. Analysis howto</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Howto.html#force-fields-howto">8.4. Force fields howto</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Howto.html#packages-howto">8.5. Packages howto</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Howto.html#tutorials-howto">8.6. Tutorials howto</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"><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="toctree-l1"><a class="reference internal" href="Bibliography.html">Bibliography</a></li>
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<p><span class="math notranslate nohighlight">\(\renewcommand{\AA}{\text{Å}}\)</span></p>
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<section id="library-interface-to-lammps">
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<h1><span class="section-number">8.1.5. </span>Library interface to LAMMPS<a class="headerlink" href="#library-interface-to-lammps" title="Link to this heading"></a></h1>
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<p>As described on the <a class="reference internal" href="Build_basics.html"><span class="doc">Build basics</span></a> doc page, LAMMPS
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can be built as a static or shared library, so that it can be called by
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another code, used in a <a class="reference internal" href="Howto_couple.html"><span class="doc">coupled manner</span></a> with other
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codes, or driven through a <a class="reference internal" href="Python_head.html"><span class="doc">Python interface</span></a>.</p>
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<p>At the core of LAMMPS is the <code class="docutils literal notranslate"><span class="pre">LAMMPS</span></code> class, which encapsulates the
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state of the simulation program through the state of the various class
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instances that it is composed of. So a calculation using LAMMPS
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requires creating an instance of the <code class="docutils literal notranslate"><span class="pre">LAMMPS</span></code> class and then send it
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(text) commands, either individually or from a file, or perform other
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operations that modify the state stored inside that instance or drive
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simulations. This is essentially what the <code class="docutils literal notranslate"><span class="pre">src/main.cpp</span></code> file does as
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well for the standalone LAMMPS executable, reading commands either from
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an input file or the standard input.</p>
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<p>Creating a LAMMPS instance can be done by using C++ code directly or
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through a C-style interface library to LAMMPS that is provided in the
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files <code class="docutils literal notranslate"><span class="pre">src/library.cpp</span></code> and <code class="docutils literal notranslate"><span class="pre">src/library.h</span></code>. This <a class="reference internal" href="Library.html#lammps-c-api"><span class="std std-ref">C language
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API</span></a>, can be used from C and C++, and is also the basis
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for the <a class="reference internal" href="Python_module.html"><span class="doc">Python</span></a> and <a class="reference internal" href="Fortran.html"><span class="doc">Fortran</span></a>
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interfaces or the <a class="reference internal" href="Tools.html#swig"><span class="std std-ref">SWIG based wrappers</span></a> included in the
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LAMMPS source code.</p>
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<p>The <code class="docutils literal notranslate"><span class="pre">examples/COUPLE</span></code> and <code class="docutils literal notranslate"><span class="pre">python/examples</span></code> directories contain some
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example programs written in C++, C, Fortran, and Python, which show how
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a driver code can link to LAMMPS as a library, run LAMMPS on a subset of
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processors (so the others are available to run some other code
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concurrently), grab data from LAMMPS, change it, and send it back into
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LAMMPS.</p>
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<p>A detailed documentation of the available APIs and examples of how to
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use them can be found in the <a class="reference internal" href="Manual.html#programmer-documentation"><span class="std std-ref">Programmer Guide</span></a>
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section of this manual.</p>
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