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<li class="toctree-l2 current"><a class="current reference internal" href="#">reset_timestep command</a><ul>
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<div class="section" id="reset-timestep-command">
<span id="index-0"></span><h1>reset_timestep command</h1>
<div class="section" id="syntax">
<h2>Syntax</h2>
<pre class="literal-block">
reset_timestep N
</pre>
<ul class="simple">
<li>N = timestep number</li>
</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
<pre class="literal-block">
reset_timestep 0
reset_timestep 4000000
</pre>
</div>
<div class="section" id="description">
<h2>Description</h2>
<p>Set the timestep counter to the specified value. This command
normally comes after the timestep has been set by reading a restart
file via the <a class="reference internal" href="read_restart.html"><span class="doc">read_restart</span></a> command, or a previous
simulation advanced the timestep.</p>
<p>The <a class="reference internal" href="read_data.html"><span class="doc">read_data</span></a> and <a class="reference internal" href="create_box.html"><span class="doc">create_box</span></a>
commands set the timestep to 0; the <a class="reference internal" href="read_restart.html"><span class="doc">read_restart</span></a>
command sets the timestep to the value it had when the restart file
was written.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions</h2>
<blockquote>
<div>none</div></blockquote>
<p>This command cannot be used when any fixes are defined that keep track
of elapsed time to perform certain kinds of time-dependent operations.
Examples are the <a class="reference internal" href="fix_deposit.html"><span class="doc">fix deposit</span></a> and <a class="reference internal" href="fix_dt_reset.html"><span class="doc">fix dt/reset</span></a> commands. The former adds atoms on
specific timesteps. The latter keeps track of accumulated time.</p>
<p>Various fixes use the current timestep to calculate related
quantities. If the timestep is reset, this may produce unexpected
behavior, but LAMMPS allows the fixes to be defined even if the
timestep is reset. For example, commands which thermostat the system,
e.g. <a class="reference internal" href="fix_nh.html"><span class="doc">fix nvt</span></a>, allow you to specify a target temperature
which ramps from Tstart to Tstop which may persist over several runs.
If you change the timestep, you may induce an instantaneous change in
the target temperature.</p>
<p>Resetting the timestep clears flags for <a class="reference internal" href="compute.html"><span class="doc">computes</span></a> that
may have calculated some quantity from a previous run. This means
these quantity cannot be accessed by a variable in between runs until
a new run is performed. See the <a class="reference internal" href="variable.html"><span class="doc">variable</span></a> command for
more details.</p>
</div>
<div class="section" id="related-commands">
<h2>Related commands</h2>
<p><a class="reference internal" href="rerun.html"><span class="doc">rerun</span></a></p>
<p><strong>Default:</strong> none</p>
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