<spanid="index-0"></span><h1>fix nvt/sllod/eff command<aclass="headerlink"href="#fix-nvt-sllod-eff-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>
<divclass="highlight-python"><divclass="highlight"><pre>fix ID group-ID nvt/sllod/eff keyword value ...
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<ulclass="simple">
<li>ID, group-ID are documented in <aclass="reference internal"href="fix.html"><em>fix</em></a> command</li>
<li>nvt/sllod/eff = style name of this fix command</li>
<li>additional thermostat related keyword/value pairs from the <aclass="reference internal"href="fix_nh_eff.html"><em>fix nvt/eff</em></a> command can be appended</li>
</ul>
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<divclass="section"id="examples">
<h2>Examples<aclass="headerlink"href="#examples"title="Permalink to this headline">¶</a></h2>
<divclass="highlight-python"><divclass="highlight"><pre>fix 1 all nvt/sllod/eff temp 300.0 300.0 0.1
fix 1 all nvt/sllod/eff temp 300.0 300.0 0.1 drag 0.2
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<divclass="section"id="description">
<h2>Description<aclass="headerlink"href="#description"title="Permalink to this headline">¶</a></h2>
<p>Perform constant NVT integration to update positions and velocities
each timestep for nuclei and electrons in the group for the <aclass="reference internal"href="pair_eff.html"><em>electron force field</em></a> model, using a Nose/Hoover temperature
thermostat. V is volume; T is temperature. This creates a system
trajectory consistent with the canonical ensemble.</p>
<p>The operation of this fix is exactly like that described by the <aclass="reference internal"href="fix_nvt_sllod.html"><em>fix nvt/sllod</em></a> command, except that the radius and
radial velocity of electrons are also updated and thermostatted.
Likewise the temperature calculated by the fix, using the compute it
creates (as discussed in the <aclass="reference internal"href="fix_nh.html"><em>fix nvt, npt, and nph</em></a> doc
page), is performed with a <aclass="reference internal"href="compute_temp_deform_eff.html"><em>compute temp/deform/eff</em></a> commmand that includes
the eFF contribution to the temperature from the electron radial
<h2>Restart, fix_modify, output, run start/stop, minimize info<aclass="headerlink"href="#restart-fix-modify-output-run-start-stop-minimize-info"title="Permalink to this headline">¶</a></h2>
<p>This fix writes the state of the Nose/Hoover thermostat to <aclass="reference internal"href="restart.html"><em>binary restart files</em></a>. See the <aclass="reference internal"href="read_restart.html"><em>read_restart</em></a>
command for info on how to re-specify a fix in an input script that
reads a restart file, so that the operation of the fix continues in an
uninterrupted fashion.</p>
<p>The <aclass="reference internal"href="fix_modify.html"><em>fix_modify</em></a><em>temp</em> option is supported by this
fix. You can use it to assign a <aclass="reference internal"href="compute.html"><em>compute</em></a> you have
defined to this fix which will be used in its thermostatting
procedure.</p>
<p>The <aclass="reference internal"href="fix_modify.html"><em>fix_modify</em></a><em>energy</em> option is supported by this
fix to add the energy change induced by Nose/Hoover thermostatting to
the system’s potential energy as part of <aclass="reference internal"href="thermo_style.html"><em>thermodynamic output</em></a>.</p>
<p>This fix computes the same global scalar and global vector of
quantities as does the <aclass="reference internal"href="fix_nh_eff.html"><em>fix nvt/eff</em></a> command.</p>
<p>This fix can ramp its target temperature over multiple runs, using the
<em>start</em> and <em>stop</em> keywords of the <aclass="reference internal"href="run.html"><em>run</em></a> command. See the
<aclass="reference internal"href="run.html"><em>run</em></a> command for details of how to do this.</p>
<p>This fix is not invoked during <aclass="reference internal"href="minimize.html"><em>energy minimization</em></a>.</p>
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<divclass="section"id="restrictions">
<h2>Restrictions<aclass="headerlink"href="#restrictions"title="Permalink to this headline">¶</a></h2>
<p>This fix is part of the USER-EFF package. It is only enabled if
LAMMPS 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>
<p>This fix works best without Nose-Hoover chain thermostats, i.e. using
tchain = 1. Setting tchain to larger values can result in poor
equilibration.</p>
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<divclass="section"id="related-commands">
<h2>Related commands<aclass="headerlink"href="#related-commands"title="Permalink to this headline">¶</a></h2>
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