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<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
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<title>box command — LAMMPS 15 May 2015 version documentation</title>
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<a href="Manual.html" class="icon icon-home"> LAMMPS
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<ul>
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<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_tools.html">9. Additional tools</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_modify.html">10. Modifying & extending LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_python.html">11. Python interface to LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
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</ul>
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<HR>
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<H3>box command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>box keyword value ...
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</PRE>
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<UL><LI>one or more keyword/value pairs may be appended
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<LI>keyword = <I>tilt</I>
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<PRE> <I>tilt</I> value = <I>small</I> or <I>large</I>
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</PRE>
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>box tilt large
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box tilt small
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>Set attributes of the simulation box.
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</P>
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<P>For triclinic (non-orthogonal) simulation boxes, the <I>tilt</I> keyword
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<div class="wy-nav-content">
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<div class="rst-content">
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<div role="navigation" aria-label="breadcrumbs navigation">
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<ul class="wy-breadcrumbs">
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<li><a href="Manual.html">Docs</a> »</li>
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<li>box command</li>
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<li class="wy-breadcrumbs-aside">
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<a href="http://lammps.sandia.gov">Website</a>
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<a href="Section_commands.html#comm">Commands</a>
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</li>
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</ul>
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<hr/>
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</div>
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<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
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<div itemprop="articleBody">
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<div class="section" id="box-command">
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<span id="index-0"></span><h1>box command<a class="headerlink" href="#box-command" title="Permalink to this headline">¶</a></h1>
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<div class="section" id="syntax">
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<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline">¶</a></h2>
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<div class="highlight-python"><div class="highlight"><pre>box keyword value ...
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</pre></div>
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</div>
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<ul class="simple">
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<li>one or more keyword/value pairs may be appended</li>
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<li>keyword = <em>tilt</em></li>
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</ul>
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<pre class="literal-block">
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<em>tilt</em> value = <em>small</em> or <em>large</em>
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</pre>
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</div>
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<div class="section" id="examples">
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<h2>Examples<a class="headerlink" href="#examples" title="Permalink to this headline">¶</a></h2>
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<div class="highlight-python"><div class="highlight"><pre>box tilt large
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box tilt small
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</pre></div>
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</div>
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</div>
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<div class="section" id="description">
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<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline">¶</a></h2>
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<p>Set attributes of the simulation box.</p>
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<p>For triclinic (non-orthogonal) simulation boxes, the <em>tilt</em> keyword
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allows simulation domains to be created with arbitrary tilt factors,
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e.g. via the <A HREF = "create_box.html">create_box</A> or
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<A HREF = "read_data.html">read_data</A> commands. Tilt factors determine how
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skewed the triclinic box is; see <A HREF = "Section_howto.html#howto_12">this
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section</A> of the manual for a discussion of
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triclinic boxes in LAMMPS.
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</P>
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<P>LAMMPS normally requires that no tilt factor can skew the box more
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e.g. via the <a class="reference internal" href="create_box.html"><em>create_box</em></a> or
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<a class="reference internal" href="read_data.html"><em>read_data</em></a> commands. Tilt factors determine how
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skewed the triclinic box is; see <a class="reference internal" href="Section_howto.html#howto-12"><span>this section</span></a> of the manual for a discussion of
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triclinic boxes in LAMMPS.</p>
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<p>LAMMPS normally requires that no tilt factor can skew the box more
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than half the distance of the parallel box length, which is the 1st
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dimension in the tilt factor (x for xz). If <I>tilt</I> is set to
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<I>small</I>, which is the default, then an error will be
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generated if a box is created which exceeds this limit. If <I>tilt</I>
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is set to <I>large</I>, then no limit is enforced. You can create
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a box with any tilt factors you wish.
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</P>
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<P>Note that if a simulation box has a large tilt factor, LAMMPS will run
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dimension in the tilt factor (x for xz). If <em>tilt</em> is set to
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<em>small</em>, which is the default, then an error will be
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generated if a box is created which exceeds this limit. If <em>tilt</em>
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is set to <em>large</em>, then no limit is enforced. You can create
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a box with any tilt factors you wish.</p>
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<p>Note that if a simulation box has a large tilt factor, LAMMPS will run
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less efficiently, due to the large volume of communication needed to
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acquire ghost atoms around a processor's irregular-shaped sub-domain.
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acquire ghost atoms around a processor’s irregular-shaped sub-domain.
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For extreme values of tilt, LAMMPS may also lose atoms and generate an
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error.
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</P>
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<P><B>Restrictions:</B>
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</P>
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<P>This command cannot be used after the simulation box is defined by a
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<A HREF = "read_data.html">read_data</A> or <A HREF = "create_box.html">create_box</A> command or
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<A HREF = "read_restart.html">read_restart</A> command.
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</P>
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<P><B>Related commands:</B> none
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</P>
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<P><B>Default:</B>
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</P>
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<P>The default value is tilt = small.
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</P>
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</HTML>
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error.</p>
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</div>
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<div class="section" id="restrictions">
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<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline">¶</a></h2>
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<p>This command cannot be used after the simulation box is defined by a
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<a class="reference internal" href="read_data.html"><em>read_data</em></a> or <a class="reference internal" href="create_box.html"><em>create_box</em></a> command or
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<a class="reference internal" href="read_restart.html"><em>read_restart</em></a> command.</p>
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<p><strong>Related commands:</strong> none</p>
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</div>
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<div class="section" id="default">
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<h2>Default<a class="headerlink" href="#default" title="Permalink to this headline">¶</a></h2>
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<p>The default value is tilt = small.</p>
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