2006-09-22 00:22:34 +08:00
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<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>
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<HR>
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<H3>pair_style yukawa command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>pair_style yukawa kappa cutoff
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</PRE>
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<UL><LI>kappa = screening length (inverse distance units)
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<LI>cutoff = global cutoff for Yukawa interactions (distance units)
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>pair_style yukawa 2.0 2.5
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pair_coeff 1 1 100.0 2.3
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pair_coeff * * 100.0
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>Style <I>yukawa</I> computes pairwise interactions with the formula
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</P>
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<CENTER><IMG SRC = "Eqs/pair_yukawa.jpg">
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</CENTER>
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<P>Rc is the cutoff.
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</P>
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<P>The following coefficients must be defined for each pair of atoms
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types via the <A HREF = "pair_coeff.html">pair_coeff</A> command as in the examples
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above, or in the data file or restart files read by the
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<A HREF = "read_data.html">read_data</A> or <A HREF = "read_restart.html">read_restart</A>
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2007-06-26 08:03:39 +08:00
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commands, or by mixing as described below:
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2006-09-22 00:22:34 +08:00
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</P>
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<UL><LI>A (energy units)
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<LI>cutoff (distance units)
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</UL>
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<P>The last coefficient is optional. If not specified, the global yukawa
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cutoff is used.
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</P>
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2007-06-26 08:03:39 +08:00
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<HR>
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<P><B>Mixing, shift, table, tail correction, per-atom energy/stress, and
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restart info</B>:
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</P>
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<P>For atom type pairs I,J and I != J, the A coefficient and cutoff
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distance for this pair style can be mixed. A is an energy value mixed
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like a LJ epsilon. The default mix value is <I>geometric</I>. See the
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"pair_modify" command for details.
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</P>
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<P>This pair style supports the <A HREF = "pair_modify.html">pair_modify</A> shift
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option for the energy of the pair interaction.
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</P>
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<P>The <A HREF = "pair_modify.html">pair_modify</A> table option is not relevant
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for this pair style.
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</P>
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<P>This pair style does not support the <A HREF = "pair_modify.html">pair_modify</A>
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tail option for adding long-range tail corrections to energy and
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pressure.
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</P>
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<P>This pair style can calculate per-atom energy and stress, as used by
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the <A HREF = "compute_epair_atom.html">compute epair/atom</A>, <A HREF = "compute_stress_atom.html">compute
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stress/atom</A>, and <A HREF = "dump.html">dump custom</A>
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commands.
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</P>
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<P>This pair style writes its information to <A HREF = "restart.html">binary restart
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files</A>, so pair_style and pair_coeff commands do not need
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to be specified in an input script that reads a restart file.
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</P>
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<HR>
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2006-09-22 00:22:34 +08:00
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<P><B>Restrictions:</B> none
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</P>
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<P><B>Related commands:</B>
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</P>
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<P><A HREF = "pair_coeff.html">pair_coeff</A>
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</P>
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<P><B>Default:</B> none
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</P>
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</HTML>
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