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Wed, Dec 4, 17:53
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rLAMMPS lammps
pair_yukawa.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 yukawa command
</H3>
<P><B>
Syntax:
</B>
</P>
<PRE>
pair_style yukawa kappa cutoff
</PRE>
<UL><LI>
kappa = screening length (inverse distance units)
<LI>
cutoff = global cutoff for Yukawa interactions (distance units)
</UL>
<P><B>
Examples:
</B>
</P>
<PRE>
pair_style yukawa 2.0 2.5
pair_coeff 1 1 100.0 2.3
pair_coeff * * 100.0
</PRE>
<P><B>
Description:
</B>
</P>
<P>
Style
<I>
yukawa
</I>
computes pairwise interactions with the formula
</P>
<CENTER><IMG
SRC =
"Eqs/pair_yukawa.jpg"
>
</CENTER>
<P>
Rc is the cutoff.
</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, or in the data file or restart files read by the
<A
HREF =
"read_data.html"
>
read_data
</A>
or
<A
HREF =
"read_restart.html"
>
read_restart
</A>
commands:
</P>
<UL><LI>
A (energy units)
<LI>
cutoff (distance units)
</UL>
<P>
The last coefficient is optional. If not specified, the global yukawa
cutoff is used.
</P>
<P><B>
Restrictions:
</B>
none
</P>
<P><B>
Related commands:
</B>
</P>
<P><A
HREF =
"pair_coeff.html"
>
pair_coeff
</A>
</P>
<P><B>
Default:
</B>
none
</P>
</HTML>
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