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Mon, Aug 26, 10:21
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rLAMMPS lammps
pair_sph_lj.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>
pair_style sph/lj command
</H3>
<P><B>
Syntax:
</B>
</P>
<PRE>
pair_style sph/lj
</PRE>
<P><B>
Examples:
</B>
</P>
<PRE>
pair_style sph/lj
pair_coeff * * 1.0 2.4
</PRE>
<P><B>
Description:
</B>
</P>
<P>
The sph/lj style computes pressure forces between particles according
to the Lennard-Jones equation of state, which is computed according to
Ree's 1980 polynomial fit
<A
HREF =
"#Ree"
>
(Ree)
</A>
. The Lennard-Jones parameters
epsilon and sigma are set to unity. This pair style also computes
Monaghan's artificial viscosity to prevent particles from
interpentrating
<A
HREF =
"#Monoghan"
>
(Monaghan)
</A>
.
</P>
<P>
See
<A
HREF =
"USER/sph/SPH_LAMMPS_userguide.pdf"
>
this PDF guide
</A>
to using SPH in
LAMMPS.
</P>
<P>
The following coefficients must be defined for each pair of atoms
types via the
<A
HREF =
"pair_coeff.html"
>
pair_coeff
</A>
command as in the examples
above.
</P>
<UL><LI>
nu artificial viscosity (no units)
<LI>
h kernel function cutoff (distance units)
</UL>
<HR>
<P><B>
Mixing, shift, table, tail correction, restart, rRESPA info
</B>
:
</P>
<P>
This style does not support mixing. Thus, coefficients for all
I,J pairs must be specified explicitly.
</P>
<P>
This style does not support the
<A
HREF =
"pair_modify.html"
>
pair_modify
</A>
shift, table, and tail options.
</P>
<P>
This style does not write information to
<A
HREF =
"restart.html"
>
binary restart
files
</A>
. Thus, you need to re-specify the pair_style and
pair_coeff commands in an input script that reads a restart file.
</P>
<P>
This style can only be used via the
<I>
pair
</I>
keyword of the
<A
HREF =
"run_style.html"
>
run_style
respa
</A>
command. It does not support the
<I>
inner
</I>
,
<I>
middle
</I>
,
<I>
outer
</I>
keywords.
</P>
<P><B>
Restrictions:
</B>
</P>
<P>
As noted above, the Lennard-Jones parameters epsilon and sigma are set
to unity.
</P>
<P>
This pair style 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 =
"pair_coeff.html"
>
pair_coeff
</A>
, pair_sph/rhosum
</P>
<P><B>
Default:
</B>
none
</P>
<HR>
<A
NAME =
"Ree"
></A>
<P><B>
(Ree)
</B>
Ree, Journal of Chemical Physics, 73, 5401 (1980).
</P>
<A
NAME =
"Monoghan"
></A>
<P><B>
(Monaghan)
</B>
Monaghan and Gingold, Journal of Computational Physics,
52, 374-389 (1983).
</P>
</HTML>
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