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<li>fix append/atoms command</li>
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<div itemprop="articleBody">
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<div class="section" id="fix-append-atoms-command">
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<span id="index-0"></span><h1>fix append/atoms command<a class="headerlink" href="#fix-append-atoms-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 append/atoms face ... keyword value ...
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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>append/atoms = style name of this fix command</li>
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<li>face = <em>zhi</em></li>
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<li>zero or more keyword/value pairs may be appended</li>
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<li>keyword = <em>basis</em> or <em>size</em> or <em>freq</em> or <em>temp</em> or <em>random</em> or <em>units</em></li>
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</ul>
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<pre class="literal-block">
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<em>basis</em> values = M itype
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<HR>
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<H3>fix append/atoms command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>fix ID group-ID append/atoms face ... keyword value ...
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</PRE>
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<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
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<LI>append/atoms = style name of this fix command
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<LI>face = <I>zhi</I>
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<LI>zero or more keyword/value pairs may be appended
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<LI>keyword = <I>basis</I> or <I>size</I> or <I>freq</I> or <I>temp</I> or <I>random</I> or <I>units</I>
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<PRE> <I>basis</I> values = M itype
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M = which basis atom
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itype = atom type (1-N) to assign to this basis atom
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<em>size</em> args = Lz
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<I>size</I> args = Lz
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Lz = z size of lattice region appended in a single event(distance units)
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<em>freq</em> args = freq
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<I>freq</I> args = freq
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freq = the number of timesteps between append events
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<em>temp</em> args = target damp seed extent
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<I>temp</I> args = target damp seed extent
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target = target temperature for the region between zhi-extent and zhi (temperature units)
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damp = damping parameter (time units)
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seed = random number seed for langevin kicks
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extent = extent of thermostated region (distance units)
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<em>random</em> args = xmax ymax zmax seed
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<em>xmax</em>, <em>ymax</em>, <em>zmax</em> = maximum displacement in particular direction (distance units)
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<em>seed</em> = random number seed for random displacement
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<em>units</em> value = <em>lattice</em> or <em>box</em>
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<em>lattice</em> = the wall position is defined in lattice units
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<em>box</em> = the wall position is defined in simulation box units
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</pre>
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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 append/atoms zhi size 5.0 freq 295 units lattice
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<I>random</I> args = xmax ymax zmax seed
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<I>xmax</I>, <I>ymax</I>, <I>zmax</I> = maximum displacement in particular direction (distance units)
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<I>seed</I> = random number seed for random displacement
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<I>units</I> value = <I>lattice</I> or <I>box</I>
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<I>lattice</I> = the wall position is defined in lattice units
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<I>box</I> = the wall position is defined in simulation box units
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</PRE>
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>fix 1 all append/atoms zhi size 5.0 freq 295 units lattice
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fix 4 all append/atoms zhi size 15.0 freq 5 units box
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fix A all append/atoms zhi size 1.0 freq 1000 units lattice
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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>This fix creates atoms on a lattice, appended on the zhi edge of the
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fix A all append/atoms zhi size 1.0 freq 1000 units lattice
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>This fix creates atoms on a lattice, appended on the zhi edge of the
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system box. This can be useful when a shock or wave is propagating
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from zlo. This allows the system to grow with time to accommodate an
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expanding wave. A simulation box must already exist, which is
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typically created via the <a class="reference internal" href="create_box.html"><em>create_box</em></a> command.
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typically created via the <A HREF = "create_box.html">create_box</A> command.
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Before using this command, a lattice must also be defined using the
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<a class="reference internal" href="lattice.html"><em>lattice</em></a> command.</p>
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<p>This fix will automatically freeze atoms on the zhi edge of the
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system, so that overlaps are avoided when new atoms are appended.</p>
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<p>The <em>basis</em> keyword specifies an atom type that will be assigned to
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<A HREF = "lattice.html">lattice</A> command.
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</P>
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<P>This fix will automatically freeze atoms on the zhi edge of the
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system, so that overlaps are avoided when new atoms are appended.
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</P>
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<P>The <I>basis</I> keyword specifies an atom type that will be assigned to
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specific basis atoms as they are created. See the
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<a class="reference internal" href="lattice.html"><em>lattice</em></a> command for specifics on how basis atoms are
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<A HREF = "lattice.html">lattice</A> command for specifics on how basis atoms are
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defined for the unit cell of the lattice. By default, all created
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atoms are assigned type = 1 unless this keyword specifies differently.</p>
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<p>The <em>size</em> keyword defines the size in z of the chunk of material to
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be added.</p>
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<p>The <em>random</em> keyword will give the atoms random displacements around
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their lattice points to simulate some initial temperature.</p>
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<p>The <em>temp</em> keyword will cause a region to be thermostated with a
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atoms are assigned type = 1 unless this keyword specifies differently.
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</P>
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<P>The <I>size</I> keyword defines the size in z of the chunk of material to
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be added.
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</P>
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<P>The <I>random</I> keyword will give the atoms random displacements around
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their lattice points to simulate some initial temperature.
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</P>
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<P>The <I>temp</I> keyword will cause a region to be thermostated with a
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Langevin thermostat on the zhi boundary. The size of the region is
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measured from zhi and is set with the <em>extent</em> argument.</p>
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<p>The <em>units</em> keyword determines the meaning of the distance units used
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measured from zhi and is set with the <I>extent</I> argument.
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</P>
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<P>The <I>units</I> keyword determines the meaning of the distance units used
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to define a wall position, but only when a numeric constant is used.
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A <em>box</em> value selects standard distance units as defined by the
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<a class="reference internal" href="units.html"><em>units</em></a> command, e.g. Angstroms for units = real or metal.
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A <em>lattice</em> value means the distance units are in lattice spacings.
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The <a class="reference internal" href="lattice.html"><em>lattice</em></a> command must have been previously used to
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define the lattice spacings.</p>
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</div>
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<hr class="docutils" />
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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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A <I>box</I> value selects standard distance units as defined by the
|
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<A HREF = "units.html">units</A> command, e.g. Angstroms for units = real or metal.
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A <I>lattice</I> value means the distance units are in lattice spacings.
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||||
The <A HREF = "lattice.html">lattice</A> command must have been previously used to
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||||
define the lattice spacings.
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||||
</P>
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||||
<HR>
|
||||
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||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No global or per-atom quantities are stored
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by this fix for access by various <a class="reference internal" href="Section_howto.html#howto-15"><span>output commands</span></a>. No parameter of this fix can
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||||
be used with the <em>start/stop</em> keywords of the <a class="reference internal" href="run.html"><em>run</em></a> command.
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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>
|
||||
<p>This fix style is part of the SHOCK package. It is only enabled if
|
||||
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>
|
||||
<p>The boundary on which atoms are added with append/atoms must be
|
||||
by this fix for access by various <A HREF = "Section_howto.html#howto_15">output
|
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commands</A>. No parameter of this fix can
|
||||
be used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This fix style is part of the SHOCK package. It is only enabled if
|
||||
LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<P>The boundary on which atoms are added with append/atoms must be
|
||||
shrink/minimum. The opposite boundary may be any boundary type other
|
||||
than periodic.</p>
|
||||
</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_wall_piston.html"><em>fix wall/piston</em></a> command</p>
|
||||
</div>
|
||||
<div class="section" id="default">
|
||||
<h2>Default<a class="headerlink" href="#default" title="Permalink to this headline">¶</a></h2>
|
||||
<p>The keyword defaults are size = 0.0, freq = 0, units = lattice. All
|
||||
added atoms are of type 1 unless the basis keyword is used.</p>
|
||||
</div>
|
||||
</div>
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than periodic.
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</P>
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<P><B>Related commands:</B>
|
||||
</P>
|
||||
<P><A HREF = "fix_wall_piston.html">fix wall/piston</A> command
|
||||
</P>
|
||||
<P><B>Default:</B>
|
||||
</P>
|
||||
<P>The keyword defaults are size = 0.0, freq = 0, units = lattice. All
|
||||
added atoms are of type 1 unless the basis keyword is used.
|
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</P>
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</HTML>
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||||
Reference in New Issue
Block a user