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<li>fix temp/rescale/eff command</li>
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<div class="section" id="fix-temp-rescale-eff-command">
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<span id="index-0"></span><h1>fix temp/rescale/eff command<a class="headerlink" href="#fix-temp-rescale-eff-command" title="Permalink to this headline">¶</a></h1>
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<div class="section" id="syntax">
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<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline">¶</a></h2>
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<div class="highlight-python"><div class="highlight"><pre>fix ID group-ID temp/rescale/eff N Tstart Tstop window fraction
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</pre></div>
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</div>
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<ul class="simple">
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<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><em>fix</em></a> command</li>
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<li>temp/rescale/eff = style name of this fix command</li>
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<li>N = perform rescaling every N steps</li>
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<li>Tstart,Tstop = desired temperature at start/end of run (temperature units)</li>
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<li>window = only rescale if temperature is outside this window (temperature units)</li>
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<li>fraction = rescale to target temperature by this fraction</li>
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</ul>
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</div>
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<div class="section" id="examples">
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<h2>Examples<a class="headerlink" href="#examples" title="Permalink to this headline">¶</a></h2>
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<div class="highlight-python"><div class="highlight"><pre>fix 3 flow temp/rescale/eff 10 1.0 100.0 0.02 1.0
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</pre></div>
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</div>
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</div>
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<div class="section" id="description">
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<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline">¶</a></h2>
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<p>Reset the temperature of a group of nuclei and electrons in the
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<a class="reference internal" href="pair_eff.html"><em>electron force field</em></a> model by explicitly rescaling
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their velocities.</p>
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<p>The operation of this fix is exactly like that described by the <a class="reference internal" href="fix_temp_rescale.html"><em>fix temp/rescale</em></a> command, except that the rescaling
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is also applied to the radial electron velocity for electron
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particles.</p>
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</div>
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<div class="section" id="restart-fix-modify-output-run-start-stop-minimize-info">
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<h2>Restart, fix_modify, output, run start/stop, minimize info<a class="headerlink" href="#restart-fix-modify-output-run-start-stop-minimize-info" title="Permalink to this headline">¶</a></h2>
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<p>No information about this fix is written to <a class="reference internal" href="restart.html"><em>binary restart files</em></a>.</p>
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<p>The <a class="reference internal" href="fix_modify.html"><em>fix_modify</em></a> <em>temp</em> option is supported by this
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fix. You can use it to assign a temperature <a class="reference internal" href="compute.html"><em>compute</em></a>
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you have defined to this fix which will be used in its thermostatting
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procedure, as described above. For consistency, the group used by
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this fix and by the compute should be the same.</p>
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<p>The <a class="reference internal" href="fix_modify.html"><em>fix_modify</em></a> <em>energy</em> option is supported by this
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fix to add the energy change implied by a velocity rescaling to the
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system’s potential energy as part of <a class="reference internal" href="thermo_style.html"><em>thermodynamic output</em></a>.</p>
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<p>This fix computes a global scalar which can be accessed by various
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<a class="reference internal" href="Section_howto.html#howto-15"><span>output commands</span></a>. The scalar is the
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cummulative energy change due to this fix. The scalar value
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calculated by this fix is “extensive”.</p>
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<p>This fix can ramp its target temperature over multiple runs, using the
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<em>start</em> and <em>stop</em> keywords of the <a class="reference internal" href="run.html"><em>run</em></a> command. See the
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<a class="reference internal" href="run.html"><em>run</em></a> command for details of how to do this.</p>
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<p>This fix is not invoked during <a class="reference internal" href="minimize.html"><em>energy minimization</em></a>.</p>
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</div>
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<div class="section" id="restrictions">
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<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline">¶</a></h2>
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<p>This fix is part of the USER-EFF package. It is only enabled if
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LAMMPS was built with that package. See the <a class="reference internal" href="Section_start.html#start-3"><span>Making LAMMPS</span></a> section for more info.</p>
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</div>
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<div class="section" id="related-commands">
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<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline">¶</a></h2>
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<p><a class="reference internal" href="fix_langevin_eff.html"><em>fix langevin/eff</em></a>, <a class="reference internal" href="fix_nh_eff.html"><em>fix nvt/eff</em></a>, <a class="reference internal" href="fix_modify.html"><em>fix_modify</em></a>,
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<a class="reference internal" href="fix_temp_rescale.html"><em>fix_temp_rescale</em></a>,</p>
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<p><strong>Default:</strong> none</p>
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