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<H1></H1><div class="section" id="lammps-documentation">
<h1>LAMMPS Documentation</h1>
<div class="section" id="jun-2016-version">
<h2>14 Jun 2016 version</h2>
<h2>17 Jun 2016 version</h2>
</div>
<div class="section" id="version-info">
<h2>Version info:</h2>

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LAMMPS Documentation
====================
14 Jun 2016 version
17 Jun 2016 version
-------------------
Version info:

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@ -318,7 +318,7 @@ beginning of the run to give the desired estimated error. Other
cutoffs such as LJ will not be affected. If the grid is not set using
the <em>mesh</em> command, this command will also attempt to use the optimal
grid that minimizes cost using an estimate given by
<a class="reference internal" href="#hardy"><span class="std std-ref">(Hardy)</span></a>. Note that this cost estimate is not exact, somewhat
<a class="reference internal" href="kspace_style.html#hardy"><span class="std std-ref">(Hardy)</span></a>. Note that this cost estimate is not exact, somewhat
experimental, and still may not yield the optimal parameters.</p>
<p>The <em>pressure/scalar</em> keyword applies only to MSM. If this option is
turned on, only the scalar pressure (i.e. (Pxx + Pyy + Pzz)/3.0) will
@ -343,7 +343,7 @@ collective operations and adequate hardware.</p>
<p>The <em>diff</em> keyword specifies the differentiation scheme used by the
PPPM method to compute forces on particles given electrostatic
potentials on the PPPM mesh. The <em>ik</em> approach is the default for
PPPM and is the original formulation used in <a class="reference internal" href="#hockney"><span class="std std-ref">(Hockney)</span></a>. It
PPPM and is the original formulation used in <a class="reference internal" href="kspace_style.html#hockney"><span class="std std-ref">(Hockney)</span></a>. It
performs differentiation in Kspace, and uses 3 FFTs to transfer each
component of the computed fields back to real space for total of 4
FFTs per timestep.</p>
@ -378,7 +378,7 @@ speed-up the simulations but introduces some error in the force
computations, as shown in <a class="reference internal" href="#wennberg"><span class="std std-ref">(Wennberg)</span></a>. With <em>none</em>, it is
assumed that no mixing rule is applicable. Splitting of the dispersion
coefficients will be performed as described in
<a class="reference internal" href="#isele-holder"><span class="std std-ref">(Isele-Holder)</span></a>. This splitting can be influenced with
<a class="reference internal" href="kspace_style.html#isele-holder"><span class="std std-ref">(Isele-Holder)</span></a>. This splitting can be influenced with
the <em>splittol</em> keywords. Only the eigenvalues that are larger than tol
compared to the largest eigenvalues are included. Using this keywords
the original matrix of dispersion coefficients is approximated. This
@ -386,7 +386,7 @@ leads to faster computations, but the accuracy in the reciprocal space
computations of the dispersion part is decreased.</p>
<p>The <em>force/disp/real</em> and <em>force/disp/kspace</em> keywords set the force
accuracy for the real and space computations for the dispersion part
of pppm/disp. As shown in <a class="reference internal" href="#isele-holder"><span class="std std-ref">(Isele-Holder)</span></a>, optimal
of pppm/disp. As shown in <a class="reference internal" href="kspace_style.html#isele-holder"><span class="std std-ref">(Isele-Holder)</span></a>, optimal
performance and accuracy in the results is obtained when these values
are different.</p>
<p>The <em>disp/auto</em> option controlls whether the pppm/disp is allowed to

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<!-- HTML_ONLY -->
<HEAD>
<TITLE>LAMMPS Users Manual</TITLE>
<META NAME="docnumber" CONTENT="14 Jun 2016 version">
<META NAME="docnumber" CONTENT="17 Jun 2016 version">
<META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
<META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
</HEAD>
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<H1></H1>
LAMMPS Documentation :c,h3
14 Jun 2016 version :c,h4
17 Jun 2016 version :c,h4
Version info: :h4