git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15125 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-06-07 15:39:12 +00:00
parent 7c55da3879
commit a8ae4fa419
11 changed files with 12 additions and 11 deletions

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@ -149,11 +149,8 @@ below:</p>
</ul>
<p>The 5 standard problems are as follow:</p>
<ol class="arabic simple">
<li>LJ = atomic fluid, Lennard-Jones potential with 2.5 sigma cutoff (55</li>
</ol>
<blockquote>
<div>neighbors per atom), NVE integration</div></blockquote>
<ol class="arabic simple">
<li>LJ = atomic fluid, Lennard-Jones potential with 2.5 sigma cutoff (55
neighbors per atom), NVE integration</li>
<li>Chain = bead-spring polymer melt of 100-mer chains, FENE bonds and LJ
pairwise interactions with a 2^(1/6) sigma cutoff (5 neighbors per
atom), NVE integration</li>

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@ -493,6 +493,7 @@ items.
Leave on desk. VISA also accepted. Chocolate chip cookies
encouraged.
----------

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@ -14,7 +14,7 @@ below:
The 5 standard problems are as follow:
#. LJ = atomic fluid, Lennard-Jones potential with 2.5 sigma cutoff (55
neighbors per atom), NVE integration
neighbors per atom), NVE integration
#. Chain = bead-spring polymer melt of 100-mer chains, FENE bonds and LJ
pairwise interactions with a 2^(1/6) sigma cutoff (5 neighbors per
atom), NVE integration
@ -26,6 +26,7 @@ The 5 standard problems are as follow:
field with a 10 Angstrom LJ cutoff (440 neighbors per atom),
particle-particle particle-mesh (PPPM) for long-range Coulombics, NPT
integration
Input files for these 5 problems are provided in the bench directory
of the LAMMPS distribution. Each has 32,000 atoms and runs for 100
timesteps. The size of the problem (number of atoms) can be varied

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@ -54,6 +54,7 @@ or :doc:`read_restart <read_restart>` commands:
* Some force fields let *n* be positive or negative which corresponds to
*d* = 1 or -1 for the harmonic style.
----------

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@ -584,6 +584,7 @@ Load the animated GIF file
additional libraries, purchasing a license, or may not be
supported.
----------

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@ -23,7 +23,6 @@ keyword = *noneq* and/or *every*
of the integration of the GLE, but has *no effect* on the accuracy of equilibrium
sampling. It might change sampling properties when used together with *noneq*\ .
Examples
""""""""

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@ -55,6 +55,7 @@ These are the variants these packages provide:
* OPT = a handful of pair styles, cache-optimized for faster CPU
performance
* HYBRID = a combination of two packages can be specified (see below)
As an example, all of the packages provide a :doc:`pair_style lj/cut <pair_lj>` variant, with style names lj/cut/opt, lj/cut/omp,
lj/cut/gpu, lj/cut/intel, or lj/cut/kk. A variant styles
can be specified explicitly in your input script, e.g. pair_style

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@ -228,7 +228,7 @@ see the doc page for individual styles to see which potentials support
these options. If N is non-zero, a table of length 2^N is
pre-computed for forces and energies, which can shrink their
computational cost by up to a factor of 2. The table is indexed via a
bit-mapping technique <a class="reference internal" href="pair_table.html#wolff"><span class="std std-ref">(Wolff)</span></a> and a linear interpolation is
bit-mapping technique <a class="reference internal" href="pair_table_rx.html#wolff"><span class="std std-ref">(Wolff)</span></a> and a linear interpolation is
performed between adjacent table values. In our experiments with
different table styles (lookup, linear, spline), this method typically
gave the best performance in terms of speed and accuracy.</p>

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@ -188,7 +188,7 @@ computes the energy or force.</p>
<p>For the <em>bitmap</em> style, the specified <em>N</em> is used to create
interpolation tables that are 2^N in length. The distance <em>R</em> is used
to index into the table via a fast bit-mapping technique due to
<a class="reference internal" href="#wolff"><span class="std std-ref">(Wolff)</span></a>, and a linear interpolation is performed between
<a class="reference internal" href="pair_table_rx.html#wolff"><span class="std std-ref">(Wolff)</span></a>, and a linear interpolation is performed between
adjacent table values.</p>
<p>The following coefficients must be defined for each pair of atoms
types via the <a class="reference internal" href="pair_coeff.html"><span class="doc">pair_coeff</span></a> command as in the examples

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