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<title>fix store/force command — LAMMPS 15 May 2015 version documentation</title>
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<li>fix store/force command</li>
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<div class="section" id="fix-store-force-command">
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<span id="index-0"></span><h1>fix store/force command<a class="headerlink" href="#fix-store-force-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 store/force
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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>store/force = style name of this fix command</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 1 all store/force
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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>Store the forces on atoms in the group at the point during each
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timestep when the fix is invoked, as described below. This is useful
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for storing forces before constraints or other boundary conditions are
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computed which modify the forces, so that unmodified forces can be
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<a class="reference internal" href="dump.html"><em>written to a dump file</em></a> or accessed by other <a class="reference internal" href="Section_howto.html#howto-15"><span>output commands</span></a> that use per-atom quantities.</p>
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<p>This fix is invoked at the point in the velocity-Verlet timestepping
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immediately after <a class="reference internal" href="pair_style.html"><em>pair</em></a>, <a class="reference internal" href="bond_style.html"><em>bond</em></a>,
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<a class="reference internal" href="angle_style.html"><em>angle</em></a>, <a class="reference internal" href="dihedral_style.html"><em>dihedral</em></a>,
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<a class="reference internal" href="improper_style.html"><em>improper</em></a>, and <a class="reference internal" href="kspace_style.html"><em>long-range</em></a>
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forces have been calculated. It is the point in the timestep when
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various fixes that compute constraint forces are calculated and
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potentially modify the force on each atom. Examples of such fixes are
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<a class="reference internal" href="fix_shake.html"><em>fix shake</em></a>, <a class="reference internal" href="fix_wall.html"><em>fix wall</em></a>, and <a class="reference internal" href="fix_indent.html"><em>fix indent</em></a>.</p>
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<div class="admonition warning">
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<p class="first admonition-title">Warning</p>
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<p class="last">The order in which various fixes are applied which
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operate at the same point during the timestep, is the same as the
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order they are specified in the input script. Thus normally, if you
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want to store per-atom forces due to force field interactions, before
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constraints are applied, you should list this fix first within that
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set of fixes, i.e. before other fixes that apply constraints.
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However, if you wish to include certain constraints (e.g. fix shake)
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in the stored force, then it could be specified after some fixes and
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before others.</p>
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</div>
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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>. None of the <a class="reference internal" href="fix_modify.html"><em>fix_modify</em></a> options
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are relevant to this fix.</p>
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<p>This fix produces a per-atom array 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 number of columns
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for each atom is 3, and the columns store the x,y,z forces on each
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atom. The per-atom values be accessed on any timestep.</p>
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<p>No parameter of this fix can be used with the <em>start/stop</em> keywords of
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the <a class="reference internal" href="run.html"><em>run</em></a> command. 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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<blockquote>
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<div>none</div></blockquote>
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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_store_state.html"><em>fix store_state</em></a></p>
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<p><strong>Default:</strong> none</p>
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