<spanid="index-0"></span><h1>pair_style lj/sdk command<aclass="headerlink"href="#pair-style-lj-sdk-command"title="Permalink to this headline">¶</a></h1>
<h1>pair_style lj/sdk/coul/long/gpu command<aclass="headerlink"href="#pair-style-lj-sdk-coul-long-gpu-command"title="Permalink to this headline">¶</a></h1>
<h1>pair_style lj/sdk/coul/long/omp command<aclass="headerlink"href="#pair-style-lj-sdk-coul-long-omp-command"title="Permalink to this headline">¶</a></h1>
<divclass="section"id="syntax">
<h2>Syntax<aclass="headerlink"href="#syntax"title="Permalink to this headline">¶</a></h2>
<p>as required for the SDK Coarse-grained MD parametrization discussed in
<aclass="reference internal"href="#shinoda"><span>(Shinoda)</span></a> and <aclass="reference internal"href="#devane"><span>(DeVane)</span></a>. Rc is the cutoff.</p>
<p>Style <em>lj/sdk/coul/long</em> computes the adds Coulombic interactions
with an additional damping factor applied so it can be used in
conjunction with the <aclass="reference internal"href="kspace_style.html"><em>kspace_style</em></a> command and
its <em>ewald</em> or <em>pppm</em> or <em>pppm/cg</em> option. The Coulombic cutoff
<aclass="reference internal"href="read_data.html"><em>read_data</em></a> or <aclass="reference internal"href="read_restart.html"><em>read_restart</em></a>
commands, or by mixing as described below:</p>
<ulclass="simple">
<li>cg_type (lj9_6, lj12_4, or lj12_6)</li>
<li>epsilon (energy units)</li>
<li>sigma (distance units)</li>
<li>cutoff1 (distance units)</li>
</ul>
<p>Note that sigma is defined in the LJ formula as the zero-crossing
enabled if LAMMPS was built with those packages. See the <aclass="reference internal"href="Section_start.html#start-3"><span>Making LAMMPS</span></a> section for more info.</p>
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <aclass="reference internal"href="Section_start.html#start-7"><span>-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <aclass="reference internal"href="suffix.html"><em>suffix</em></a> command in your input script.</p>
<p>See <aclass="reference internal"href="Section_accelerate.html"><em>Section_accelerate</em></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<hrclass="docutils"/>
<p><strong>Mixing, shift, table, tail correction, restart, and rRESPA info</strong>:</p>
<p>For atom type pairs I,J and I != J, the epsilon and sigma coefficients
and cutoff distance for all of the lj/sdk pair styles <em>cannot</em> be mixed,
<aclass="reference internal"href="pair_modify.html"><em>pair_modify</em></a> shift option for the energy of the
Lennard-Jones portion of the pair interaction.</p>
<p>The <em>lj/sdk/coul/long</em> pair styles support the
<aclass="reference internal"href="pair_modify.html"><em>pair_modify</em></a> table option since they can tabulate
the short-range portion of the long-range Coulombic interaction.</p>
<p>All of the lj/sdk pair styles write their information to <aclass="reference internal"href="restart.html"><em>binary restart files</em></a>, so pair_style and pair_coeff commands do
not need to be specified in an input script that reads a restart file.</p>
<p>The lj/sdk and lj/cut/coul/long pair styles do not support
the use of the <em>inner</em>, <em>middle</em>, and <em>outer</em> keywords of the <aclass="reference internal"href="run_style.html"><em>run_style respa</em></a> command.</p>
</div>
<hrclass="docutils"/>
<divclass="section"id="restrictions">
<h2>Restrictions<aclass="headerlink"href="#restrictions"title="Permalink to this headline">¶</a></h2>
<p>All of the lj/sdk pair styles are part of the USER-CG-CMM package.
The <em>lj/sdk/coul/long</em> style also requires the KSPACE package to be
was built with that package. See the <aclass="reference internal"href="Section_start.html#start-3"><span>Making LAMMPS</span></a> section for more info.</p>
</div>
<divclass="section"id="related-commands">
<h2>Related commands<aclass="headerlink"href="#related-commands"title="Permalink to this headline">¶</a></h2>
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