<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
<li>rx = style name of this fix command</li>
<li>file = filename containing the reaction kinetic equations and Arrhenius parameters</li>
<li>localTemp = <em>none,lucy</em> = no local temperature averaging or local temperature defined through Lucy weighting function</li>
<li>matrix = <em>sparse, dense</em> format for the stoichiometric matrix</li>
<li>solver = <em>lammps_rk4,rkf45</em> = rk4 is an explicit 4th order Runge-Kutta method; rkf45 is an adaptive 4th-order Runge-Kutta-Fehlberg method</li>
<li>minSteps = # of steps for rk4 solver or minimum # of steps for rkf45 (rk4 or rkf45)</li>
<li>maxSteps = maximum number of steps for the rkf45 solver (rkf45 only)</li>
<li>relTol = relative tolerance for the rkf45 solver (rkf45 only)</li>
<li>absTol = absolute tolernace for the rkf45 solver (rkf45 only)</li>
<li>diag = Diagnostics frequency for the rkf45 solver (optional, rkf45 only)</li>
</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
<pre class="literal-block">
fix 1 all rx kinetics.rx none dense lammps_rk4
fix 1 all rx kinetics.rx none sparse lammps_rk4 1
fix 1 all rx kinetics.rx lucy sparse lammps_rk4 10
<p>The self-particle interaction is included in the above equation.</p>
<p>The stoichiometric coefficients for the reaction mechanism are stored
in either a sparse or dense matrix format. The dense matrix should only be
used for small reaction mechanisms. The sparse matrix should be used when there
are many reactions (e.g., more than 5). This allows the number of reactions and
species to grow while keeping the computational cost tractable. The matrix
format can be specified as using either the <em>sparse</em> or <em>dense</em> keywords.
If all stoichiometric coefficients for a reaction are small integers (whole
numbers <= 3), a fast exponential function is used. This can save significant
computational time so users are encouraged to use integer coefficients
where possible.</p>
<hr class="docutils" />
<p>The format of a tabulated file is as follows (without the
parenthesized comments):</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="c1"># Rxn equations and parameters (one or more comment or blank lines)</span>
<p>This command is part of the USER-DPD package. It is only enabled if
LAMMPS was built with that package. See the <a class="reference internal" href="Section_start.html#start-3"><span class="std std-ref">Making LAMMPS</span></a> section for more info.</p>
<p>This command also requires use of the <a class="reference internal" href="atom_style.html"><span class="doc">atom_style dpd</span></a>
command.</p>
<p>This command can only be used with a constant energy or constant
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