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<div class="section" id="fix-addforce-command">
<span id="index-0"></span><h1>fix addforce command<a class="headerlink" href="#fix-addforce-command" title="Permalink to this headline">¶</a></h1>
<div class="section" id="syntax">
<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline">¶</a></h2>
<div class="highlight-python"><div class="highlight"><pre>fix ID group-ID addforce fx fy fz keyword value ...
</pre></div>
</div>
<ul class="simple">
<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><em>fix</em></a> command</li>
<li>addforce = style name of this fix command</li>
<li>fx,fy,fz = force component values (force units)</li>
</ul>
<div class="highlight-python"><div class="highlight"><pre>any of fx,fy,fz can be a variable (see below)
</pre></div>
</div>
<ul class="simple">
<li>zero or more keyword/value pairs may be appended to args</li>
<li>keyword = <em>region</em> or <em>energy</em></li>
</ul>
<pre class="literal-block">
<em>region</em> value = region-ID
region-ID = ID of region atoms must be in to have added force
<em>energy</em> value = v_name
v_name = variable with name that calculates the potential energy of each atom in the added force field
</pre>
</div>
<div class="section" id="examples">
<h2>Examples<a class="headerlink" href="#examples" title="Permalink to this headline">¶</a></h2>
<div class="highlight-python"><div class="highlight"><pre>fix kick flow addforce 1.0 0.0 0.0
fix kick flow addforce 1.0 0.0 v_oscillate
fix ff boundary addforce 0.0 0.0 v_push energy v_espace
</pre></div>
</div>
</div>
<div class="section" id="description">
<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline">¶</a></h2>
<p>Add fx,fy,fz to the corresponding component of force for each atom in
the group. This command can be used to give an additional push to
atoms in a simulation, such as for a simulation of Poiseuille flow in
a channel.</p>
<p>Any of the 3 quantities defining the force components can be specified
as an equal-style or atom-style <a class="reference internal" href="variable.html"><em>variable</em></a>, namely <em>fx</em>,
<em>fy</em>, <em>fz</em>. If the value is a variable, it should be specified as
v_name, where name is the variable name. In this case, the variable
will be evaluated each timestep, and its value(s) used to determine
the force component.</p>
<p>Equal-style variables can specify formulas with various mathematical
functions, and include <a class="reference internal" href="thermo_style.html"><em>thermo_style</em></a> command
keywords for the simulation box parameters and timestep and elapsed
time. Thus it is easy to specify a time-dependent force field.</p>
<p>Atom-style variables can specify the same formulas as equal-style
variables but can also include per-atom values, such as atom
coordinates. Thus it is easy to specify a spatially-dependent force
field with optional time-dependence as well.</p>
<p>If the <em>region</em> keyword is used, the atom must also be in the
specified geometric <a class="reference internal" href="region.html"><em>region</em></a> in order to have force added
to it.</p>
<hr class="docutils" />
<p>Adding a force to atoms implies a change in their potential energy as
they move due to the applied force field. For dynamics via the “run”
command, this energy can be optionally added to the system’s potential
energy for thermodynamic output (see below). For energy minimization
via the “minimize” command, this energy must be added to the system’s
potential energy to formulate a self-consistent minimization problem
(see below).</p>
<p>The <em>energy</em> keyword is not allowed if the added force is a constant
vector F = (fx,fy,fz), with all components defined as numeric
constants and not as variables. This is because LIGGGHTS(R)-PUBLIC can compute
the energy for each atom directly as E = -x dot F = -(x*fx + y*fy +
z*fz), so that -Grad(E) = F.</p>
<p>The <em>energy</em> keyword is optional if the added force is defined with
one or more variables, and if you are performing dynamics via the
<a class="reference internal" href="run.html"><em>run</em></a> command. If the keyword is not used, LIGGGHTS(R)-PUBLIC will set
the energy to 0.0, which is typically fine for dynamics.</p>
<p>The <em>energy</em> keyword is required if the added force is defined with
one or more variables, and you are performing energy minimization via
the “minimize” command. The keyword specifies the name of an
atom-style <a class="reference internal" href="variable.html"><em>variable</em></a> which is used to compute the
energy of each atom as function of its position. Like variables used
for <em>fx</em>, <em>fy</em>, <em>fz</em>, the energy variable is specified as v_name,
where name is the variable name.</p>
<p>Note that when the <em>energy</em> keyword is used during an energy
minimization, you must insure that the formula defined for the
atom-style <a class="reference internal" href="variable.html"><em>variable</em></a> is consistent with the force
variable formulas, i.e. that -Grad(E) = F. For example, if the force
were a spring-like F = kx, then the energy formula should be E =
-0.5kx^2. If you don’t do this correctly, the minimization will not
converge properly.</p>
</div>
<div class="section" id="restart-fix-modify-output-run-start-stop-minimize-info">
<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>
<p>No information about this fix is written to <a class="reference internal" href="restart.html"><em>binary restart files</em></a>.</p>
<p>The <a class="reference internal" href="fix_modify.html"><em>fix_modify</em></a> <em>energy</em> option is supported by this
fix to add the potential “energy” inferred by the added force to the
system’s potential energy as part of <a class="reference internal" href="thermo_style.html"><em>thermodynamic output</em></a>. This is a fictitious quantity but is
needed so that the <code class="xref doc docutils literal"><span class="pre">minimize</span></code> command can include the
forces added by this fix in a consistent manner. I.e. there is a
decrease in potential energy when atoms move in the direction of the
added force.</p>
<p>This fix computes a global scalar and a global 3-vector of forces,
which can be accessed by various <span class="xref std std-ref">output commands</span>. The scalar is the potential
energy discussed above. The vector is the total force on the group of
atoms before the forces on individual atoms are changed by the fix.
The scalar and vector values calculated by this fix are “extensive”.</p>
<p>No parameter of this fix can be used with the <em>start/stop</em> keywords of
the <a class="reference internal" href="run.html"><em>run</em></a> command.</p>
<p>The forces due to this fix are imposed during an energy minimization,
invoked by the <code class="xref doc docutils literal"><span class="pre">minimize</span></code> command. You should not
specify force components with a variable that has time-dependence for
use with a minimizer, since the minimizer increments the timestep as
the iteration count during the minimization.</p>
<div class="admonition warning">
<p class="first admonition-title">Warning</p>
<p class="last">If you want the fictitious potential energy associated
with the added forces to be included in the total potential energy of
the system (the quantity being minimized), you MUST enable the
<a class="reference internal" href="fix_modify.html"><em>fix_modify</em></a> <em>energy</em> option for this fix.</p>
</div>
</div>
<div class="section" id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline">¶</a></h2>
<blockquote>
<div>none</div></blockquote>
<p><strong>Coarse-graining information:</strong></p>
<p>Using <code class="xref doc docutils literal"><span class="pre">coarsegraining</span></code> in
combination with this command might lead to
different dynamics or system state and thus to
inconsistancies.</p>
<div class="admonition note">
<p class="first admonition-title">Note</p>
<p class="last"><code class="xref doc docutils literal"><span class="pre">Coarsegraining</span></code> may or
may not be available in LIGGGHTS(R)-PUBLIC.</p>
</div>
</div>
<div class="section" id="related-commands">
<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline">¶</a></h2>
<p><a class="reference internal" href="fix_setforce.html"><em>fix setforce</em></a>, <a class="reference internal" href="fix_aveforce.html"><em>fix aveforce</em></a></p>
<p><strong>Default:</strong> none</p>
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