git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15125 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -149,11 +149,8 @@ below:</p>
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</ul>
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<p>The 5 standard problems are as follow:</p>
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<ol class="arabic simple">
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<li>LJ = atomic fluid, Lennard-Jones potential with 2.5 sigma cutoff (55</li>
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</ol>
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<blockquote>
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<div>neighbors per atom), NVE integration</div></blockquote>
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<ol class="arabic simple">
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<li>LJ = atomic fluid, Lennard-Jones potential with 2.5 sigma cutoff (55
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neighbors per atom), NVE integration</li>
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<li>Chain = bead-spring polymer melt of 100-mer chains, FENE bonds and LJ
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pairwise interactions with a 2^(1/6) sigma cutoff (5 neighbors per
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atom), NVE integration</li>
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@ -493,6 +493,7 @@ items.
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Leave on desk. VISA also accepted. Chocolate chip cookies
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encouraged.
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----------
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@ -14,7 +14,7 @@ below:
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The 5 standard problems are as follow:
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#. LJ = atomic fluid, Lennard-Jones potential with 2.5 sigma cutoff (55
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neighbors per atom), NVE integration
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neighbors per atom), NVE integration
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#. Chain = bead-spring polymer melt of 100-mer chains, FENE bonds and LJ
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pairwise interactions with a 2^(1/6) sigma cutoff (5 neighbors per
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atom), NVE integration
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@ -26,6 +26,7 @@ The 5 standard problems are as follow:
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field with a 10 Angstrom LJ cutoff (440 neighbors per atom),
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particle-particle particle-mesh (PPPM) for long-range Coulombics, NPT
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integration
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Input files for these 5 problems are provided in the bench directory
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of the LAMMPS distribution. Each has 32,000 atoms and runs for 100
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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:
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* Some force fields let *n* be positive or negative which corresponds to
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*d* = 1 or -1 for the harmonic style.
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----------
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@ -584,6 +584,7 @@ Load the animated GIF file
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additional libraries, purchasing a license, or may not be
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supported.
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----------
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@ -23,7 +23,6 @@ keyword = *noneq* and/or *every*
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of the integration of the GLE, but has *no effect* on the accuracy of equilibrium
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sampling. It might change sampling properties when used together with *noneq*\ .
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Examples
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""""""""
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@ -55,6 +55,7 @@ These are the variants these packages provide:
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* OPT = a handful of pair styles, cache-optimized for faster CPU
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performance
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* HYBRID = a combination of two packages can be specified (see below)
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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,
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lj/cut/gpu, lj/cut/intel, or lj/cut/kk. A variant styles
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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
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these options. If N is non-zero, a table of length 2^N is
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pre-computed for forces and energies, which can shrink their
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computational cost by up to a factor of 2. The table is indexed via a
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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
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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
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performed between adjacent table values. In our experiments with
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different table styles (lookup, linear, spline), this method typically
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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>
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<p>For the <em>bitmap</em> style, the specified <em>N</em> is used to create
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interpolation tables that are 2^N in length. The distance <em>R</em> is used
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to index into the table via a fast bit-mapping technique due to
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<a class="reference internal" href="#wolff"><span class="std std-ref">(Wolff)</span></a>, and a linear interpolation is performed between
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<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
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adjacent table values.</p>
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<p>The following coefficients must be defined for each pair of atoms
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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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