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<div class="lammps_version">Version: <b>19 Nov 2024</b></div>
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<p class="caption" role="heading"><span class="caption-text">User Guide</span></p>
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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="Tools.html">10. Auxiliary tools</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 current"><a class="reference internal" href="Developer.html">4. Information for Developers</a><ul class="current">
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<li class="toctree-l2"><a class="reference internal" href="Developer_org.html">4.1. Source files</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_org.html#class-topology">4.2. Class topology</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_code_design.html">4.3. Code design</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_parallel.html">4.4. Parallel algorithms</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_atom.html">4.5. Accessing per-atom data</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_comm_ops.html">4.6. Communication patterns</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_flow.html">4.7. How a timestep works</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_write.html">4.8. Writing new styles</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_notes.html">4.9. Notes for developers and code maintainers</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_updating.html">4.10. Notes for updating code written for older LAMMPS versions</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_plugins.html">4.11. Writing plugins</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_unittest.html">4.12. Adding tests for unit testing</a></li>
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<li class="toctree-l2 current"><a class="reference internal" href="Classes.html">4.13. C++ base classes</a><ul class="current">
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<li class="toctree-l3 current"><a class="current reference internal" href="#">4.13.1. LAMMPS Class</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Classes_atom.html">4.13.2. LAMMPS Atom and AtomVec Base Classes</a></li>
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<li class="toctree-l3"><a class="reference internal" href="Classes_input.html">4.13.3. LAMMPS Input Base Class</a></li>
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</ul>
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<li class="toctree-l2"><a class="reference internal" href="Developer_platform.html">4.14. Platform abstraction functions</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_utils.html">4.15. Utility functions</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_utils.html#special-math-functions">4.16. Special Math functions</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_utils.html#tokenizer-classes">4.17. Tokenizer classes</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_utils.html#argument-parsing-classes">4.18. Argument parsing classes</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_utils.html#file-reader-classes">4.19. File reader classes</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_utils.html#memory-pool-classes">4.20. Memory pool classes</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_utils.html#eigensolver-functions">4.21. Eigensolver functions</a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_utils.html#communication-buffer-coding-with-ubuf">4.22. Communication buffer coding with <em>ubuf</em></a></li>
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<li class="toctree-l2"><a class="reference internal" href="Developer_grid.html">4.23. Use of distributed grids within style classes</a></li>
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</ul>
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</li>
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</ul>
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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"><a href="Classes.html"><span class="section-number">4.13. </span>C++ base classes</a></li>
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<li class="breadcrumb-item active"><span class="section-number">4.13.1. </span>LAMMPS Class</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="lammps-class">
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<h1><span class="section-number">4.13.1. </span>LAMMPS Class<a class="headerlink" href="#lammps-class" title="Link to this heading"></a></h1>
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<p>The LAMMPS class is encapsulating an MD simulation state and thus it is
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the class that needs to be created when starting a new simulation system
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state. The LAMMPS executable essentially creates one instance of this
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class and passes the command-line flags and tells it to process the
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provided input (a file or <code class="docutils literal notranslate"><span class="pre">stdin</span></code>). It shuts the class down when
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control is returned to it and then exits. When using LAMMPS as a
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library from another code it is required to create an instance of this
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class, either directly from C++ with <code class="docutils literal notranslate"><span class="pre">new</span> <span class="pre">LAMMPS()</span></code> or through one
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of the library interface functions like <a class="reference internal" href="Library_create.html#_CPPv411lammps_openiPPc8MPI_CommPPv" title="lammps_open"><code class="xref cpp cpp-func docutils literal notranslate"><span class="pre">lammps_open()</span></code></a> of the
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||
C-library interface, or the <a class="reference internal" href="Python_module.html#lammps.lammps" title="lammps.lammps"><code class="xref py py-class docutils literal notranslate"><span class="pre">lammps.lammps</span></code></a> class constructor
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of the Python module, or the <code class="xref f f-func docutils literal notranslate"><span class="pre">lammps()</span></code> constructor of the Fortran
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module.</p>
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<p>In order to avoid clashes of function names, all of the core code in
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LAMMPS is placed into the <code class="docutils literal notranslate"><span class="pre">LAMMPS_NS</span></code> namespace. Functions or variables
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outside of that namespace must be “static”, i.e. visible only to the
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scope of the file/object they are defined in. Code in packages or the
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libraries in the <code class="docutils literal notranslate"><span class="pre">lib</span></code> folder may not adhere to this as some of them
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are adapted from legacy code or consist of external libraries with their
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own requirements and policies.</p>
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<hr class="docutils" />
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<dl class="cpp class">
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<dt class="sig sig-object cpp" id="_CPPv4N9LAMMPS_NS6LAMMPSE">
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<span id="_CPPv3N9LAMMPS_NS6LAMMPSE"></span><span id="_CPPv2N9LAMMPS_NS6LAMMPSE"></span><span id="LAMMPS_NS::LAMMPS"></span><span class="target" id="classLAMMPS__NS_1_1LAMMPS"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">LAMMPS</span></span></span><a class="headerlink" href="#_CPPv4N9LAMMPS_NS6LAMMPSE" title="Link to this definition"></a><br /></dt>
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<dd><p><a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> simulation instance. </p>
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<p>The <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> class contains pointers of all constituent class instances and global variables that are used by a <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> simulation. Its contents represent the entire state of the simulation.</p>
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<p>The <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> class manages the components of an MD simulation by creating, deleting, and initializing instances of the classes it is composed of, processing command-line flags, and providing access to some global properties. The specifics of setting up and running a simulation are handled by the individual component class instances. </p>
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<div class="breathe-sectiondef docutils container">
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<p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-functions">Public Functions</p>
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<dl class="cpp function">
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<dt class="sig sig-object cpp" id="_CPPv4NK9LAMMPS_NS6LAMMPS15non_pair_suffixEv">
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<span id="_CPPv3NK9LAMMPS_NS6LAMMPS15non_pair_suffixEv"></span><span id="_CPPv2NK9LAMMPS_NS6LAMMPS15non_pair_suffixEv"></span><span id="LAMMPS_NS::LAMMPS::non_pair_suffixC"></span><span class="target" id="classLAMMPS__NS_1_1LAMMPS_1aeadaf4767470104f970858ed7d7227a3"></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">non_pair_suffix</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">const</span></span><a class="headerlink" href="#_CPPv4NK9LAMMPS_NS6LAMMPS15non_pair_suffixEv" title="Link to this definition"></a><br /></dt>
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<dd><p>Return suffix for non-pair styles depending on pair_only_flag. </p>
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<dl class="field-list simple">
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<dt class="field-odd">Returns<span class="colon">:</span></dt>
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<dd class="field-odd"><p>suffix or null pointer </p>
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</dd>
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</dl>
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</dd></dl>
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||
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<dl class="cpp function">
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||
<dt class="sig sig-object cpp" id="_CPPv4N9LAMMPS_NS6LAMMPS11match_styleEPKcPKc">
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<span id="_CPPv3N9LAMMPS_NS6LAMMPS11match_styleEPKcPKc"></span><span id="_CPPv2N9LAMMPS_NS6LAMMPS11match_styleEPKcPKc"></span><span id="LAMMPS_NS::LAMMPS::match_style__cCP.cCP"></span><span class="target" id="classLAMMPS__NS_1_1LAMMPS_1a494c5512fbe010f7eddf168ee45878d9"></span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="sig-name descname"><span class="n"><span class="pre">match_style</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">style</span></span>, <span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">name</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N9LAMMPS_NS6LAMMPS11match_styleEPKcPKc" title="Link to this definition"></a><br /></dt>
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||
<dd><p>Return name of package that a specific style belongs to. </p>
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||
<p>This function checks the given name against all list of styles for all types of styles and if the name and the style match, it returns which package this style belongs to.</p>
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<dl class="field-list simple">
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||
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
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<dd class="field-odd"><ul class="simple">
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<li><p><strong>style</strong> – Type of style (e.g. atom, pair, fix, etc.) </p></li>
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<li><p><strong>name</strong> – Name of style </p></li>
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</ul>
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</dd>
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<dt class="field-even">Returns<span class="colon">:</span></dt>
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<dd class="field-even"><p>Name of the package this style is part of </p>
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</dd>
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</dl>
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</dd></dl>
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<dl class="cpp function">
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<dt class="sig sig-object cpp" id="_CPPv4N9LAMMPS_NS6LAMMPS6LAMMPSER4argv8MPI_Comm">
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<span id="_CPPv3N9LAMMPS_NS6LAMMPS6LAMMPSER4argv8MPI_Comm"></span><span id="_CPPv2N9LAMMPS_NS6LAMMPS6LAMMPSER4argv8MPI_Comm"></span><span id="LAMMPS_NS::LAMMPS::LAMMPS__argvR.MPI_Comm"></span><span class="target" id="classLAMMPS__NS_1_1LAMMPS_1a6b5422fe9b6d4523afe1bd28ccc4a34f"></span><span class="sig-name descname"><span class="n"><span class="pre">LAMMPS</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">argv</span></span><span class="w"> </span><span class="p"><span class="pre">&</span></span><span class="n sig-param"><span class="pre">args</span></span>, <span class="n"><span class="pre">MPI_Comm</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N9LAMMPS_NS6LAMMPS6LAMMPSER4argv8MPI_Comm" title="Link to this definition"></a><br /></dt>
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<dd><p>Create a <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> simulation instance</p>
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<dl class="field-list simple">
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<dt class="field-odd">Parameters<span class="colon">:</span></dt>
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<dd class="field-odd"><ul class="simple">
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<li><p><strong>args</strong> – list of arguments </p></li>
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<li><p><strong>communicator</strong> – MPI communicator used by this <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> instance </p></li>
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</ul>
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</dd>
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</dl>
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</dd></dl>
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<dl class="cpp function">
|
||
<dt class="sig sig-object cpp" id="_CPPv4N9LAMMPS_NS6LAMMPS6LAMMPSEiPPc8MPI_Comm">
|
||
<span id="_CPPv3N9LAMMPS_NS6LAMMPS6LAMMPSEiPPc8MPI_Comm"></span><span id="_CPPv2N9LAMMPS_NS6LAMMPS6LAMMPSEiPPc8MPI_Comm"></span><span id="LAMMPS_NS::LAMMPS::LAMMPS__i.cPP.MPI_Comm"></span><span class="target" id="classLAMMPS__NS_1_1LAMMPS_1ad442476f0b5d6babaf85c9fdb3c3fbc7"></span><span class="sig-name descname"><span class="n"><span class="pre">LAMMPS</span></span></span><span class="sig-paren">(</span><span class="kt"><span class="pre">int</span></span>, <span class="kt"><span class="pre">char</span></span><span class="p"><span class="pre">*</span></span><span class="p"><span class="pre">*</span></span>, <span class="n"><span class="pre">MPI_Comm</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N9LAMMPS_NS6LAMMPS6LAMMPSEiPPc8MPI_Comm" title="Link to this definition"></a><br /></dt>
|
||
<dd><p>Create a <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> simulation instance</p>
|
||
<p>The <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> constructor starts up a simulation by allocating all fundamental classes in the necessary order, parses input switches and their arguments, initializes communicators, screen and logfile output FILE pointers.</p>
|
||
<dl class="field-list simple">
|
||
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
|
||
<dd class="field-odd"><ul class="simple">
|
||
<li><p><strong>narg</strong> – number of arguments </p></li>
|
||
<li><p><strong>arg</strong> – list of arguments </p></li>
|
||
<li><p><strong>communicator</strong> – MPI communicator used by this <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> instance </p></li>
|
||
</ul>
|
||
</dd>
|
||
</dl>
|
||
</dd></dl>
|
||
|
||
<dl class="cpp function">
|
||
<dt class="sig sig-object cpp" id="_CPPv4N9LAMMPS_NS6LAMMPSD0Ev">
|
||
<span id="_CPPv3N9LAMMPS_NS6LAMMPSD0Ev"></span><span id="_CPPv2N9LAMMPS_NS6LAMMPSD0Ev"></span><span id="LAMMPS_NS::LAMMPS::~LAMMPS"></span><span class="target" id="classLAMMPS__NS_1_1LAMMPS_1a92a3e5374e6a9e114052e6a5abcb4bec"></span><span class="sig-name descname"><span class="n"><span class="pre">~LAMMPS</span></span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><span class="w"> </span><span class="k"><span class="pre">noexcept</span></span><span class="p"><span class="pre">(</span></span><span class="k"><span class="pre">false</span></span><span class="p"><span class="pre">)</span></span><a class="headerlink" href="#_CPPv4N9LAMMPS_NS6LAMMPSD0Ev" title="Link to this definition"></a><br /></dt>
|
||
<dd><p>Shut down a <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> simulation instance</p>
|
||
<p>The <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> destructor shuts down the simulation by deleting top-level class instances, closing screen and log files for the global instance (aka “world”) and files and MPI communicators in sub-partitions (“universes”). Then it deletes the fundamental class instances and copies of data inside the class. </p>
|
||
</dd></dl>
|
||
|
||
</div>
|
||
<div class="breathe-sectiondef docutils container">
|
||
<p class="breathe-sectiondef-title rubric" id="breathe-section-title-public-static-functions">Public Static Functions</p>
|
||
<dl class="cpp function">
|
||
<dt class="sig sig-object cpp" id="_CPPv4N9LAMMPS_NS6LAMMPS16is_installed_pkgEPKc">
|
||
<span id="_CPPv3N9LAMMPS_NS6LAMMPS16is_installed_pkgEPKc"></span><span id="_CPPv2N9LAMMPS_NS6LAMMPS16is_installed_pkgEPKc"></span><span id="LAMMPS_NS::LAMMPS::is_installed_pkg__cCP"></span><span class="target" id="classLAMMPS__NS_1_1LAMMPS_1a0e0366f32d92ec48bd0c034826e9c101"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="kt"><span class="pre">bool</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">is_installed_pkg</span></span></span><span class="sig-paren">(</span><span class="k"><span class="pre">const</span></span><span class="w"> </span><span class="kt"><span class="pre">char</span></span><span class="w"> </span><span class="p"><span class="pre">*</span></span><span class="n sig-param"><span class="pre">pkg</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N9LAMMPS_NS6LAMMPS16is_installed_pkgEPKc" title="Link to this definition"></a><br /></dt>
|
||
<dd><p>Return true if a <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> package is enabled in this binary</p>
|
||
<dl class="field-list simple">
|
||
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
|
||
<dd class="field-odd"><p><strong>pkg</strong> – name of package </p>
|
||
</dd>
|
||
<dt class="field-even">Returns<span class="colon">:</span></dt>
|
||
<dd class="field-even"><p>true if yes, else false </p>
|
||
</dd>
|
||
</dl>
|
||
</dd></dl>
|
||
|
||
<dl class="cpp function">
|
||
<dt class="sig sig-object cpp" id="_CPPv4N9LAMMPS_NS6LAMMPS13argv_pointersER4argv">
|
||
<span id="_CPPv3N9LAMMPS_NS6LAMMPS13argv_pointersER4argv"></span><span id="_CPPv2N9LAMMPS_NS6LAMMPS13argv_pointersER4argv"></span><span id="LAMMPS_NS::LAMMPS::argv_pointers__argvR"></span><span class="target" id="classLAMMPS__NS_1_1LAMMPS_1a66bef5337d2a927cad7cd4235826defb"></span><span class="k"><span class="pre">static</span></span><span class="w"> </span><span class="n"><span class="pre">std</span></span><span class="p"><span class="pre">::</span></span><span class="n"><span class="pre">vector</span></span><span class="p"><span class="pre"><</span></span><span class="kt"><span class="pre">char</span></span><span class="p"><span class="pre">*</span></span><span class="p"><span class="pre">></span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">argv_pointers</span></span></span><span class="sig-paren">(</span><span class="n"><span class="pre">argv</span></span><span class="w"> </span><span class="p"><span class="pre">&</span></span><span class="n sig-param"><span class="pre">args</span></span><span class="sig-paren">)</span><a class="headerlink" href="#_CPPv4N9LAMMPS_NS6LAMMPS13argv_pointersER4argv" title="Link to this definition"></a><br /></dt>
|
||
<dd><p>Create vector of argv string pointers including terminating nullptr element</p>
|
||
<dl class="field-list simple">
|
||
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
|
||
<dd class="field-odd"><p><strong>args</strong> – list of arguments </p>
|
||
</dd>
|
||
</dl>
|
||
</dd></dl>
|
||
|
||
</div>
|
||
</dd></dl>
|
||
|
||
<dl class="cpp class">
|
||
<dt class="sig sig-object cpp" id="_CPPv4N9LAMMPS_NS8PointersE">
|
||
<span id="_CPPv3N9LAMMPS_NS8PointersE"></span><span id="_CPPv2N9LAMMPS_NS8PointersE"></span><span id="LAMMPS_NS::Pointers"></span><span class="target" id="classLAMMPS__NS_1_1Pointers"></span><span class="k"><span class="pre">class</span></span><span class="w"> </span><span class="sig-name descname"><span class="n"><span class="pre">Pointers</span></span></span><a class="headerlink" href="#_CPPv4N9LAMMPS_NS8PointersE" title="Link to this definition"></a><br /></dt>
|
||
<dd><p>Base class for <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> features. </p>
|
||
<p>The <a class="reference internal" href="#classLAMMPS__NS_1_1Pointers"><span class="std std-ref">Pointers</span></a> class contains references to many of the pointers and members of the <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS_NS::LAMMPS</span></a> class. Derived classes thus gain access to the constituent class instances in the <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> composite class and thus to the core functionality of <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a>.</p>
|
||
<p>This kind of construct is needed, since the <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> constructor should only be run once per <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> instance and thus classes cannot be derived from <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> itself. The <a class="reference internal" href="#classLAMMPS__NS_1_1Pointers"><span class="std std-ref">Pointers</span></a> class constructor instead only initializes C++ references to component pointer in the <a class="reference internal" href="#classLAMMPS__NS_1_1LAMMPS"><span class="std std-ref">LAMMPS</span></a> class. </p>
|
||
<p>Subclassed by <a class="reference internal" href="Classes_atom.html#classLAMMPS__NS_1_1Atom"><span class="std std-ref">Atom</span></a>, <a class="reference internal" href="Classes_input.html#classLAMMPS__NS_1_1Input"><span class="std std-ref">Input</span></a>, <a class="reference internal" href="Developer_utils.html#classLAMMPS__NS_1_1PotentialFileReader"><span class="std std-ref">PotentialFileReader</span></a></p>
|
||
</dd></dl>
|
||
|
||
</section>
|
||
|
||
|
||
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|
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|
||
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||
<a href="Classes.html" class="btn btn-neutral float-left" title="4.13. C++ base classes" accesskey="p" rel="prev"><span class="fa fa-arrow-circle-left" aria-hidden="true"></span> Previous</a>
|
||
<a href="Classes_atom.html" class="btn btn-neutral float-right" title="4.13.2. LAMMPS Atom and AtomVec Base Classes" accesskey="n" rel="next">Next <span class="fa fa-arrow-circle-right" aria-hidden="true"></span></a>
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|
||
|
||
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