<h1>fix npt/asphere/omp command<aclass="headerlink"href="#fix-npt-asphere-omp-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 npt/asphere keyword value ...
</pre></div>
</div>
<ulclass="simple">
<li>ID, group-ID are documented in <aclass="reference internal"href="fix.html"><em>fix</em></a> command</li>
<li>npt/asphere = style name of this fix command</li>
<li>additional thermostat and barostat related keyword/value pairs from the <aclass="reference internal"href="fix_nh.html"><em>fix npt</em></a> command can be appended</li>
</ul>
</div>
<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 npt/asphere temp 300.0 300.0 100.0 iso 0.0 0.0 1000.0
<p>Additional parameters affecting the thermostat and barostat are
specified by keywords and values documented with the <aclass="reference internal"href="fix_nh.html"><em>fix npt</em></a> command. See, for example, discussion of the <em>temp</em>,
<em>iso</em>, <em>aniso</em>, and <em>dilate</em> keywords.</p>
<p>The particles in the fix group are the only ones whose velocities and
unchanged and controlling the pressure of a surrounding fluid.</p>
<hrclass="docutils"/>
<p>This fix computes a temperature and pressure each timestep. To do
this, the fix creates its own computes of style “temp/asphere” and
“pressure”, as if these commands had been issued:</p>
<divclass="highlight-python"><divclass="highlight"><pre>compute fix-ID_temp all temp/asphere
compute fix-ID_press all pressure fix-ID_temp
</pre></div>
</div>
<p>See the <aclass="reference internal"href="compute_temp_asphere.html"><em>compute temp/asphere</em></a> and <aclass="reference internal"href="compute_pressure.html"><em>compute pressure</em></a> commands for details. Note that the
IDs of the new computes are the fix-ID + underscore + “temp” or fix_ID
+ underscore + “press”, and the group for the new computes is “all”
since pressure is computed for the entire system.</p>
<p>Note that these are NOT the computes used by thermodynamic output (see
the <aclass="reference internal"href="thermo_style.html"><em>thermo_style</em></a> command) with ID = <em>thermo_temp</em>
and <em>thermo_press</em>. This means you can change the attributes of this
fix’s temperature or pressure via the
<aclass="reference internal"href="compute_modify.html"><em>compute_modify</em></a> command or print this temperature
or pressure during thermodynamic output via the <aclass="reference internal"href="thermo_style.html"><em>thermo_style custom</em></a> command using the appropriate compute-ID.
It also means that changing attributes of <em>thermo_temp</em> or
<em>thermo_press</em> will have no effect on this fix.</p>
<p>Like other fixes that perform thermostatting, this fix can be used
with <aclass="reference internal"href="compute.html"><em>compute commands</em></a> that calculate a temperature
after removing a “bias” from the atom velocities. E.g. removing the
term. See the doc pages for individual <aclass="reference internal"href="compute.html"><em>compute commands</em></a> to determine which ones include a bias. In
enabled if LAMMPS was built with those packages. See the <aclass="reference internal"href="Section_start.html#start-3"><span>Making LAMMPS</span></a> section for more info.</p>
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <aclass="reference internal"href="Section_start.html#start-7"><span>-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <aclass="reference internal"href="suffix.html"><em>suffix</em></a> command in your input script.</p>
<p>See <aclass="reference internal"href="Section_accelerate.html"><em>Section_accelerate</em></a> of the manual for
more instructions on how to use the accelerated styles effectively.</p>
<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 and barostat
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
<p>This fix computes the same global scalar and global vector of
quantities as does the <aclass="reference internal"href="fix_nh.html"><em>fix npt</em></a> command.</p>
<p>This fix can ramp its target temperature and pressure 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>
</div>
<divclass="section"id="restrictions">
<h2>Restrictions<aclass="headerlink"href="#restrictions"title="Permalink to this headline">¶</a></h2>
<p>This fix is part of the ASPHERE 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 requires that atoms store torque and angular momementum and a
quaternion as defined by the <aclass="reference internal"href="atom_style.html"><em>atom_style ellipsoid</em></a>
command.</p>
<p>All particles in the group must be finite-size. They cannot be point
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