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<div class="section" id="compute-ke-command">
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<span id="index-0"></span><h1>compute ke command<a class="headerlink" href="#compute-ke-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>compute ID group-ID ke
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</pre></div>
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</div>
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<ul class="simple">
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<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><em>compute</em></a> command</li>
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<li>ke = style name of this compute command</li>
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</ul>
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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>compute 1 all ke
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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>Define a computation that calculates the translational kinetic energy
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of a group of particles.</p>
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<p>The kinetic energy of each particle is computed as 1/2 m v^2, where m
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and v are the mass and velocity of the particle.</p>
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<p>There is a subtle difference between the quantity calculated by this
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compute and the kinetic energy calculated by the <em>ke</em> or <em>etotal</em>
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<HR>
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<H3>compute ke command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>compute ID group-ID ke
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</PRE>
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<UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command
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<LI>ke = style name of this compute command
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>compute 1 all ke
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>Define a computation that calculates the translational kinetic energy
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of a group of particles.
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</P>
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<P>The kinetic energy of each particle is computed as 1/2 m v^2, where m
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and v are the mass and velocity of the particle.
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</P>
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<P>There is a subtle difference between the quantity calculated by this
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compute and the kinetic energy calculated by the <I>ke</I> or <I>etotal</I>
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keyword used in thermodynamic output, as specified by the
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<a class="reference internal" href="thermo_style.html"><em>thermo_style</em></a> command. For this compute, kinetic
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energy is “translational” kinetic energy, calculated by the simple
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formula above. For thermodynamic output, the <em>ke</em> keyword infers
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<A HREF = "thermo_style.html">thermo_style</A> command. For this compute, kinetic
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energy is "translational" kinetic energy, calculated by the simple
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formula above. For thermodynamic output, the <I>ke</I> keyword infers
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kinetic energy from the temperature of the system with 1/2 Kb T of
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energy for each degree of freedom. For the default temperature
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computation via the <a class="reference internal" href="compute_temp.html"><em>compute temp</em></a> command, these
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computation via the <A HREF = "compute_temp.html">compute temp</A> command, these
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are the same. But different computes that calculate temperature can
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subtract out different non-thermal components of velocity and/or
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include different degrees of freedom (translational, rotational, etc).</p>
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<p><strong>Output info:</strong></p>
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<p>This compute calculates a global scalar (the summed KE). This value
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include different degrees of freedom (translational, rotational, etc).
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</P>
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<P><B>Output info:</B>
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</P>
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<P>This compute calculates a global scalar (the summed KE). This value
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can be used by any command that uses a global scalar value from a
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compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span>Section_howto 15</span></a>
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for an overview of LAMMPS output options.</p>
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<p>The scalar value calculated by this compute is “extensive”. The
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scalar value will be in energy <a class="reference internal" href="units.html"><em>units</em></a>.</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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<blockquote>
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<div>none</div></blockquote>
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</div>
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<div class="section" id="related-commands">
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<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline">¶</a></h2>
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<p><a class="reference internal" href="compute_erotate_sphere.html"><em>compute erotate/sphere</em></a></p>
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<p><strong>Default:</strong> none</p>
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compute as input. See <A HREF = "Section_howto.html#howto_15">Section_howto 15</A>
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for an overview of LAMMPS output options.
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</P>
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<P>The scalar value calculated by this compute is "extensive". The
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scalar value will be in energy <A HREF = "units.html">units</A>.
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</P>
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<P><B>Restrictions:</B> none
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<P><B>Related commands:</B>
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<P><A HREF = "compute_erotate_sphere.html">compute erotate/sphere</A>
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<P><B>Default:</B> none
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