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compute smd/internal/energy command
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compute smd/internal/energy command
</a><ul>
<li><a
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Syntax
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Examples
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Description
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Restrictions
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Default
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compute smd/internal/energy command
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<div
class=
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id=
"compute-smd-internal-energy-command"
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<span
id=
"index-0"
></span><h1>
compute smd/internal/energy command
</h1>
<div
class=
"section"
id=
"syntax"
>
<h2>
Syntax
</h2>
<div
class=
"highlight-default"
><div
class=
"highlight"
><pre><span></span><span
class=
"n"
>
compute
</span>
<span
class=
"n"
>
ID
</span>
<span
class=
"n"
>
group
</span><span
class=
"o"
>
-
</span><span
class=
"n"
>
ID
</span>
<span
class=
"n"
>
smd
</span><span
class=
"o"
>
/
</span><span
class=
"n"
>
internal
</span><span
class=
"o"
>
/
</span><span
class=
"n"
>
energy
</span>
</pre></div>
</div>
<ul
class=
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<li>
ID, group-ID are documented in
<a
class=
"reference internal"
href=
"compute.html"
><span
class=
"doc"
>
compute
</span></a>
command
</li>
<li>
smd/smd/internal/energy = style name of this compute command
</li>
</ul>
</div>
<div
class=
"section"
id=
"examples"
>
<h2>
Examples
</h2>
<div
class=
"highlight-default"
><div
class=
"highlight"
><pre><span></span><span
class=
"n"
>
compute
</span>
<span
class=
"mi"
>
1
</span>
<span
class=
"nb"
>
all
</span>
<span
class=
"n"
>
smd
</span><span
class=
"o"
>
/
</span><span
class=
"n"
>
internal
</span><span
class=
"o"
>
/
</span><span
class=
"n"
>
energy
</span>
</pre></div>
</div>
</div>
<div
class=
"section"
id=
"description"
>
<h2>
Description
</h2>
<p>
Define a computation which outputs the per-particle enthalpy, i.e.,
the sum of potential energy and heat.
</p>
<p>
See
<a
class=
"reference external"
href=
"USER/smd/SMD_LAMMPS_userguide.pdf"
>
this PDF guide
</a>
to use Smooth
Mach Dynamics in LAMMPS.
</p>
<p><strong>
Output Info:
</strong></p>
<p>
This compute calculates a per-particle vector, which can be accessed
by any command that uses per-particle values from a compute as input.
See
<a
class=
"reference internal"
href=
"Section_howto.html#howto-15"
><span
class=
"std std-ref"
>
How-to discussions, section 6.15
</span></a>
for
an overview of LAMMPS output options.
</p>
<p>
The per-particle vector values will be given in
<a
class=
"reference internal"
href=
"units.html"
><span
class=
"doc"
>
units
</span></a>
of energy.
</p>
</div>
<div
class=
"section"
id=
"restrictions"
>
<h2>
Restrictions
</h2>
<p>
This compute is part of the USER-SMD package. It is only enabled if
LAMMPS was built with that package. See the
<span
class=
"xref std std-ref"
>
Making LAMMPS
</span>
section for more info. This compute
can only be used for particles which interact via the updated
Lagrangian or total Lagrangian SPH pair styles.
</p>
<p><strong>
Related Commands:
</strong></p>
</div>
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Default
</h2>
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