Homec4science
Diffusion lammps (lammm-master) Browse

lammps/doc/compute_meso_t_atom.html
65bcbb90734blammm-master

Last Change
Raw File

compute_meso_t_atom.html
View Options

<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#4_15">this section</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>
c4science · Help