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rLAMMPS lammps
compute_meso_t_atom.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 meso_t/atom command
</H3>
<P><B>
Syntax:
</B>
</P>
<PRE>
compute ID group-ID meso_t/atom
</PRE>
<UL><LI>
ID, group-ID are documented in
<A
HREF =
"compute.html"
>
compute
</A>
command
<LI>
meso_t/atom = style name of this compute command
</UL>
<P><B>
Examples:
</B>
</P>
<PRE>
compute 1 all meso_t/atom
</PRE>
<P><B>
Description:
</B>
</P>
<P>
Define a computation that calculates the per-atom internal temperature
for each atom in a group.
</P>
<P>
The internal temperature is the ratio of internal energy over the heat
capacity associated with the internal degrees of freedom of a mesoscopic
particles, e.g. a Smooth-Particle Hydrodynamics particle.
</P>
<P>
T_
<I>
int
</I>
= E_
<I>
int
</I>
/ C_
<I>
V, int
</I>
</P>
<P>
See
<A
HREF =
"USER/sph/SPH_LAMMPS_userguide.pdf"
>
this PDF guide
</A>
to using SPH in
LAMMPS.
</P>
<P>
The value of the internal energy will be 0.0 for atoms not in the
specified compute group.
</P>
<P><B>
Output info:
</B>
</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
HREF =
"Section_howto.html#howto_15"
>
Section_howto 15
</A>
for an overview of
LAMMPS output options.
</P>
<P>
The per-atom vector values will be in temperature
<A
HREF =
"units.html"
>
units
</A>
.
</P>
<P><B>
Restrictions:
</B>
</P>
<P>
This compute is part of the USER-SPH 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 =
"dump.html"
>
dump custom
</A>
</P>
<P><B>
Default:
</B>
none
</P>
</HTML>
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