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pair_style_dipole.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 dipole/cut command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>pair_style dipole/cut cutoff (cutoff2)
</PRE>
<UL><LI>cutoff = global cutoff for LJ interactions (and Coulombic if only 1 arg) (distance units)
<LI>cutoff2 = global cutoff for Coulombic and dipole interactions (optional) (distance units)
</UL>
<P><B>Examples:</B>
</P>
<PRE>pair_style dipole/cut 2.5
pair_style dipole/cut 2.5 5.0
pair_coeff * * 100.0 2.0 1.5
pair_coeff 1 1 100.0 2.0 1.5 3.0
</PRE>
<P><B>Description:</B>
</P>
<P>Style <I>dipole/cut</I>
</P>
<P>The <I>dipole</I> styles are not yet implemented in LAMMPS. They will
enable a point dipole and charge to be assigned to each atom and the
resulting charge-dipole and dipole-dipole interactions to be computed.
</P>
<P> computes pairwise interactions with the formula
</P>
<CENTER><IMG SRC = "Eqs/pair_dipole.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>D0 (energy units)
<LI>alpha (1/distance units)
<LI>r0 (distance units)
<LI>cutoff (distance units)
</UL>
<P>The last coefficient is optional. If not specified, the global morse
cutoff is used.
</P>
<P><B>Restrictions:</B> none
</P>
<P>Must use atom style dipole.
</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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