cutoff = global cutoff for Buckingham (and Coulombic if only 1 arg) (distance units)
cutoff2 = global cutoff for Coulombic (optional) (distance units)
</pre>
</div>
<divclass="section"id="examples">
<h2>Examples</h2>
<preclass="literal-block">
pair_style born/coul/long/cs 10.0 8.0
pair_coeff 1 1 6.08 0.317 2.340 24.18 11.51
</pre>
<preclass="literal-block">
pair_style buck/coul/long/cs 10.0
pair_style buck/coul/long/cs 10.0 8.0
pair_coeff * * 100.0 1.5 200.0
pair_coeff 1 1 100.0 1.5 200.0 9.0
</pre>
</div>
<divclass="section"id="description">
<h2>Description</h2>
<p>These pair styles are designed to be used with the adiabatic
core/shell model of <aclass="reference internal"href="#mitchellfinchham"><spanclass="std std-ref">(Mitchell and Finchham)</span></a>. See
<aclass="reference internal"href="Section_howto.html#howto-25"><spanclass="std std-ref">Section_howto 25</span></a> of the manual for an
overview of the model as implemented in LAMMPS.</p>
<p>These pair styles are identical to the <aclass="reference internal"href="pair_born.html"><spanclass="doc">pair_style born/coul/long</span></a> and <aclass="reference internal"href="pair_buck.html"><spanclass="doc">pair_style buck/coul/long</span></a> styles, except they correctly treat the
special case where the distance between two charged core and shell
atoms in the same core/shell pair approach r = 0.0. This needs
special treatment when a long-range solver for Coulombic interactions
is also used, i.e. via the <aclass="reference internal"href="kspace_style.html"><spanclass="doc">kspace_style</span></a> command.</p>
<p>More specifically, the short-range Coulomb interaction between a core
and its shell should be turned off using the
<aclass="reference internal"href="special_bonds.html"><spanclass="doc">special_bonds</span></a> command by setting the 1-2 weight
to 0.0, which works because the core and shell atoms are bonded to
each other. This induces a long-range correction approximation which
fails at small distances (~< 10e-8). Therefore, the Coulomb term which
is used to calculate the correction factor is extended by a minimal
distance (r_min = 1.0-6) when the interaction between a core/shell
<p>where C is an energy-conversion constant, Qi and Qj are the charges on
the core and shell, epsilon is the dielectric constant and r_min is the
minimal distance.</p>
</div>
<divclass="section"id="restrictions">
<h2>Restrictions</h2>
<p>These pair styles are part of the CORESHELL package. They are only
enabled if LAMMPS was built with that package. See the <aclass="reference internal"href="Section_start.html#start-3"><spanclass="std std-ref">Making LAMMPS</span></a> section for more info.</p>
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