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rLAMMPS lammps
compute_smd_vol.html
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<HTML>
<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>
</CENTER>
<HR>
<H3>
compute smd/vol command
</H3>
<P><B>
Syntax:
</B>
</P>
<PRE>
compute ID group-ID smd/vol
</PRE>
<UL><LI>
ID, group-ID are documented in
<A
HREF =
"compute.html"
>
compute
</A>
command
<LI>
smd/vol = style name of this compute command
</UL>
<P><B>
Examples:
</B>
</P>
<PRE>
compute 1 all smd/vol
</PRE>
<P><B>
Description:
</B>
</P>
<P>
Define a computation that provides the per-particle volume and the sum of the per-particle volumes of the
group for which the fix is defined.
</P>
<P>
See
<A
HREF =
"USER/smd/SMD_LAMMPS_userguide.pdf"
>
this PDF guide
</A>
to using Smooth Mach Dynamics in
LAMMPS.
</P>
<P><B>
Output info:
</B>
</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
HREF =
"Section_howto.html#howto_15"
>
How-to discussions, section 6.15
</A>
for an overview of LAMMPS output options.
</P>
<P>
The per-particle vector values will be given in
<A
HREF =
"units.html"
>
units
</A>
of volume.
</P>
<P>
Additionally, the compute returns a scalar, which is the sum of the per-particle volumes of the
group for which the fix is defined.
</P>
<P><B>
Restrictions:
</B>
</P>
<P>
This compute is part of the USER-SMD package. It is only enabled if
LAMMPS was built with that package. See the
<A
HREF =
"Section_start.html#start_3"
>
Making LAMMPS
</A>
section for more info.
</P>
<P><B>
Related commands:
</B>
</P>
<P><A
HREF =
"compute_smd_rho.html"
>
smd/rho
</A>
</P>
<P><B>
Default:
</B>
none
</P>
</HTML>
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