<p>A section begins with a non-blank line whose 1st character is not a
“#”; blank lines or lines starting with “#” can be used as comments
between sections. The first line begins with a keyword which
identifies the section. The line can contain additional text, but the
initial text must match the argument specified in the fix command.</p>
<p>The next line lists the number of table entries. The parameter “N” is
required and its value is the number of table entries that follow.
Note that this may be different than the <em>N</em> specified in the <codeclass="xref doc docutils literal"><spanclass="pre">fix</span><spanclass="pre">eos/table</span></code> command. Let Ntable = <em>N</em> in the fix
command, and Nfile = “N” in the tabulated file. What LAMMPS does is a
preliminary interpolation by creating splines using the Nfile
tabulated values as nodal points. It uses these to interpolate as
needed to generate energy and temperature values at Ntable different
points. The resulting tables of length Ntable are then used as
described above, when computing energy and temperature relationships.
This means that if you want the interpolation tables of length Ntable
to match exactly what is in the tabulated file (with effectively no
preliminary interpolation), you should set Ntable = Nfile.</p>
<p>Following a blank line, the next N lines list the tabulated values.
On each line, the 1st value is the index from 1 to N, the 2nd value is
the internal temperature (in temperature units), the 3rd value is the
internal energy (in energy units).</p>
<p>Note that the internal temperature and internal energy values must
increase from one line to the next.</p>
<p>Note that one file can contain many sections, each with a tabulated
potential. LAMMPS reads the file section by section until it finds
one that matches the specified keyword.</p>
</div>
<hrclass="docutils"/>
<divclass="section"id="restrictions">
<h2>Restrictions<aclass="headerlink"href="#restrictions"title="Permalink to this headline">¶</a></h2>
<p>The fix <em>eos/table</em> is only available if LAMMPS is built with the
USER-DPD package.</p>
<p>The equation of state must be a monotonically increasing function.</p>
<p>An exit error will occur if the internal temperature or internal
energies are not within the table cutoffs.</p>
</div>
<divclass="section"id="related-commands">
<h2>Related commands<aclass="headerlink"href="#related-commands"title="Permalink to this headline">¶</a></h2>
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