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pair_style_hybrid.html
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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>
</CENTER>
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<H3>pair_style hybrid command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>pair_style hybrid style1 style2 ...
</PRE>
<UL><LI>style1,style2 = list of one or more pair styles
</UL>
<P><B>Examples:</B>
</P>
<PRE>pair_style hybrid lj/charmm/coul/long 10.0 eam
pair_coeff 1*2 1*2 eam niu3
pair_coeff 3 3 lj/cut/coul/cut 1.0 1.0
pair_coeff 1*2 3 lj/cut 0.5 1.2
</PRE>
<P><B>Description:</B>
</P>
<P>The <I>hybrid</I> style enables the use of multiple pair styles in one
simulation. A pair style can be assigned to each pair of atom types
via the <A HREF = "pair_coeff.html">pair_coeff</A> command.
</P>
<P>For example, a metal on a LJ surface could be computed where the metal
atoms interact with each other via a <I>eam</I> potential, the surface
atoms interact with each other via a <I>lj/cut</I> potential, and the
metal/surface interaction is also via a <I>lj/cut</I> potential.
</P>
<P>All pair styles that will be used must be listed in the pair_style
hybrid command (in any order). The name of each sub-style is followed
by its arguments, as illustrated in the example above.
</P>
<P>In the pair_coeff command, the first coefficient sets the pair style
and the remaining coefficients are those appropriate to that style.
For example, consider a simulation with 3 atom types: types 1 and 2
are Ni atoms, type 3 are LJ atoms with charges. The following
commands would set up the hybrid simulation:
</P>
<PRE>atom_style hybrid eam charge
pair_style hybrid eam lj/cut/coul/cut 10.0 lj/cut 8.0
pair_coeff 1*2 1*2 eam niu3
pair_coeff 3 3 lj/cut/coul/cut 1.0 1.0
pair_coeff 1*2 3 lj/cut 0.5 1.2
</PRE>
<P>The <A HREF = "atom_style.html">atom_style</A> hybrid command is needed because
atoms in the simulation will have both EAM and charge attributes.
</P>
<P><B>Restrictions:</B> none
</P>
<P>When using a long-range Coulomic solver (via the
<A HREF = "kspace_style">kspace_style</A> command) with pair_style hybrid, one or
more sub-styles will be of the "long" variety.
E.g. <I>lj/cut/coul/long</I> or <I>buck/coul/long</I>. It is OK to have more
than one sub-style with a "long" component, but you must insure that
the short-range Coulombic cutoff used by each of these pair styles is
consistent. Else the long-range Coulombic solve will be inconsistent.
</P>
<P>The hybrid style cannot include any of the <I>granular</I> styles in its
list of styles to use. Only one <I>coul/long</I> style can be used in the
list of hybrid styles.
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "pair_coeff.html">pair_coeff</A>
</P>
<P><B>Default:</B> none
</P>
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