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compute ke/atom command
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LAMMPS 11 Dec 2015 documentation
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compute ke/atom command
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<div
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<span
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"index-0"
></span><h1>
compute ke/atom command
<a
class=
"headerlink"
href=
"#compute-ke-atom-command"
title=
"Permalink to this headline"
>
¶
</a></h1>
<div
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"syntax"
>
<h2>
Syntax
<a
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¶
</a></h2>
<div
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><div
class=
"highlight"
><pre>
compute ID group-ID ke/atom
</pre></div>
</div>
<ul
class=
"simple"
>
<li>
ID, group-ID are documented in
<a
class=
"reference internal"
href=
"compute.html"
><em>
compute
</em></a>
command
</li>
<li>
ke/atom = style name of this compute command
</li>
</ul>
</div>
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>
<h2>
Examples
<a
class=
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>
¶
</a></h2>
<div
class=
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><div
class=
"highlight"
><pre>
compute 1 all ke/atom
</pre></div>
</div>
</div>
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"description"
>
<h2>
Description
<a
class=
"headerlink"
href=
"#description"
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"Permalink to this headline"
>
¶
</a></h2>
<p>
Define a computation that calculates the per-atom translational
kinetic energy for each atom in a group.
</p>
<p>
The kinetic energy is simply 1/2 m v^2, where m is the mass and v is
the velocity of each atom.
</p>
<p>
The value of the kinetic energy will be 0.0 for atoms not in the
specified compute group.
</p>
<p><strong>
Output info:
</strong></p>
<p>
This compute calculates a per-atom vector, which can be accessed by
any command that uses per-atom values from a compute as input. See
<a
class=
"reference internal"
href=
"Section_howto.html#howto-15"
><span>
Section_howto 15
</span></a>
for an overview of
LAMMPS output options.
</p>
<p>
The per-atom vector values will be in energy
<a
class=
"reference internal"
href=
"units.html"
><em>
units
</em></a>
.
</p>
</div>
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>
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Restrictions
<a
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"Permalink to this headline"
>
¶
</a></h2>
<blockquote>
<div>
none
</div></blockquote>
</div>
<div
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id=
"related-commands"
>
<h2>
Related commands
<a
class=
"headerlink"
href=
"#related-commands"
title=
"Permalink to this headline"
>
¶
</a></h2>
<p><a
class=
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href=
"dump.html"
><em>
dump custom
</em></a></p>
<p><strong>
Default:
</strong>
none
</p>
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