git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14447 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2016-01-15 15:32:31 +00:00
parent c077947285
commit ef6beaad54
9 changed files with 16 additions and 102 deletions

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@ -1071,7 +1071,7 @@ KOKKOS, o = USER-OMP, t = OPT.</p>
<td><a class="reference internal" href="pair_kim.html"><em>kim</em></a></td> <td><a class="reference internal" href="pair_kim.html"><em>kim</em></a></td>
<td><a class="reference internal" href="pair_lcbop.html"><em>lcbop</em></a></td> <td><a class="reference internal" href="pair_lcbop.html"><em>lcbop</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_line_lj.html"><em>line/lj (o)</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="pair_line_lj.html"><em>line/lj</em></a></td>
<td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/charmm (cko)</em></a></td> <td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/charmm (cko)</em></a></td>
<td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/charmm/implicit (cko)</em></a></td> <td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/charmm/implicit (cko)</em></a></td>
<td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/long (cgiko)</em></a></td> <td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/long (cgiko)</em></a></td>
@ -1142,7 +1142,7 @@ KOKKOS, o = USER-OMP, t = OPT.</p>
<td><a class="reference internal" href="pair_coul.html"><em>tip4p/cut (o)</em></a></td> <td><a class="reference internal" href="pair_coul.html"><em>tip4p/cut (o)</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_coul.html"><em>tip4p/long (o)</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="pair_coul.html"><em>tip4p/long (o)</em></a></td>
<td><a class="reference internal" href="pair_tri_lj.html"><em>tri/lj (o)</em></a></td> <td><a class="reference internal" href="pair_tri_lj.html"><em>tri/lj</em></a></td>
<td><a class="reference internal" href="pair_vashishta.html"><em>vashishta (o)</em></a></td> <td><a class="reference internal" href="pair_vashishta.html"><em>vashishta (o)</em></a></td>
<td><a class="reference internal" href="pair_yukawa.html"><em>yukawa (go)</em></a></td> <td><a class="reference internal" href="pair_yukawa.html"><em>yukawa (go)</em></a></td>
</tr> </tr>

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@ -833,7 +833,7 @@ KOKKOS, o = USER-OMP, t = OPT.
"hbond/dreiding/morse (o)"_pair_hbond_dreiding.html, "hbond/dreiding/morse (o)"_pair_hbond_dreiding.html,
"kim"_pair_kim.html, "kim"_pair_kim.html,
"lcbop"_pair_lcbop.html, "lcbop"_pair_lcbop.html,
"line/lj (o)"_pair_line_lj.html, "line/lj"_pair_line_lj.html,
"lj/charmm/coul/charmm (cko)"_pair_charmm.html, "lj/charmm/coul/charmm (cko)"_pair_charmm.html,
"lj/charmm/coul/charmm/implicit (cko)"_pair_charmm.html, "lj/charmm/coul/charmm/implicit (cko)"_pair_charmm.html,
"lj/charmm/coul/long (cgiko)"_pair_charmm.html, "lj/charmm/coul/long (cgiko)"_pair_charmm.html,
@ -890,7 +890,7 @@ KOKKOS, o = USER-OMP, t = OPT.
"tersoff/zbl (ko)"_pair_tersoff_zbl.html, "tersoff/zbl (ko)"_pair_tersoff_zbl.html,
"tip4p/cut (o)"_pair_coul.html, "tip4p/cut (o)"_pair_coul.html,
"tip4p/long (o)"_pair_coul.html, "tip4p/long (o)"_pair_coul.html,
"tri/lj (o)"_pair_tri_lj.html, "tri/lj"_pair_tri_lj.html,
"vashishta (o)"_pair_vashishta.html, "vashishta (o)"_pair_vashishta.html,
"yukawa (go)"_pair_yukawa.html, "yukawa (go)"_pair_yukawa.html,
"yukawa/colloid (go)"_pair_yukawa_colloid.html, "yukawa/colloid (go)"_pair_yukawa_colloid.html,

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@ -296,7 +296,7 @@ simulation domain, not a displacement from the center-of-mass (COM) of
the body particle itself. These values are calculated using the the body particle itself. These values are calculated using the
current COM and orientation of the body particle.</p> current COM and orientation of the body particle.</p>
<p>For images created by the <a class="reference internal" href="dump_image.html"><em>dump image</em></a> command, if the <p>For images created by the <a class="reference internal" href="dump_image.html"><em>dump image</em></a> command, if the
<em>body</em> keyword is set to <em>yes</em>, then each body particle is drawn as a <em>body</em> keyword is set, then each body particle is drawn as a
collection of spheres, one for each sub-particle. The size of each collection of spheres, one for each sub-particle. The size of each
sphere is determined by the <em>bflag1</em> parameter for the <em>body</em> keyword. sphere is determined by the <em>bflag1</em> parameter for the <em>body</em> keyword.
The <em>bflag2</em> argument is ignored.</p> The <em>bflag2</em> argument is ignored.</p>
@ -305,7 +305,7 @@ The <em>bflag2</em> argument is ignored.</p>
<p>The <em>rounded/polygon</em> body style represents body particles as a convex <p>The <em>rounded/polygon</em> body style represents body particles as a convex
polygon with a variable number N &gt; 2 of vertices, which can only be polygon with a variable number N &gt; 2 of vertices, which can only be
used for 2d models. One example use of this body style is for 2d used for 2d models. One example use of this body style is for 2d
discrete element models, as described in <a class="reference internal" href="pair_body_rounded_polygon.html#fraige"><span>Fraige</span></a>. Similar to discrete element models, as described in <a class="reference internal" href="#fraige"><span>Fraige</span></a>. Similar to
body style <em>nparticle</em>, the atom_style body command for this body body style <em>nparticle</em>, the atom_style body command for this body
style takes two additional arguments:</p> style takes two additional arguments:</p>
<div class="highlight-python"><div class="highlight"><pre>atom_style body rounded/polygon Nmin Nmax <div class="highlight-python"><div class="highlight"><pre>atom_style body rounded/polygon Nmin Nmax
@ -374,10 +374,10 @@ simulation domain, not a displacement from the center-of-mass (COM) of
the body particle itself. These values are calculated using the the body particle itself. These values are calculated using the
current COM and orientation of the body particle.</p> current COM and orientation of the body particle.</p>
<p>For images created by the <a class="reference internal" href="dump_image.html"><em>dump image</em></a> command, if the <p>For images created by the <a class="reference internal" href="dump_image.html"><em>dump image</em></a> command, if the
<em>body</em> keyword is set to <em>yes</em>, then each body particle is drawn as a <em>body</em> keyword is set, then each body particle is drawn as a convex
convex polygon consisting of N line segments. Note that the line polygon consisting of N line segments. Note that the line segments
segments are drawn between the N vertices, which does not correspond are drawn between the N vertices, which does not correspond exactly to
exactly to the physical extent of the body (because the <a class="reference external" href="pair_body_rounded_polygon.cpp">pair_style rounded/polygon</a> defines finite-size the physical extent of the body (because the <a class="reference external" href="pair_body_rounded_polygon.cpp">pair_style rounded/polygon</a> defines finite-size
spheres at those point and the line segments between the spheres are spheres at those point and the line segments between the spheres are
tangent to the spheres). The drawn diameter of each line segment is tangent to the spheres). The drawn diameter of each line segment is
determined by the <em>bflag1</em> parameter for the <em>body</em> keyword. The determined by the <em>bflag1</em> parameter for the <em>body</em> keyword. The

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@ -166,7 +166,7 @@ the body particle itself. These values are calculated using the
current COM and orientation of the body particle. current COM and orientation of the body particle.
For images created by the "dump image"_dump_image.html command, if the For images created by the "dump image"_dump_image.html command, if the
{body} keyword is set to {yes}, then each body particle is drawn as a {body} keyword is set, then each body particle is drawn as a
collection of spheres, one for each sub-particle. The size of each collection of spheres, one for each sub-particle. The size of each
sphere is determined by the {bflag1} parameter for the {body} keyword. sphere is determined by the {bflag1} parameter for the {body} keyword.
The {bflag2} argument is ignored. The {bflag2} argument is ignored.
@ -253,10 +253,10 @@ the body particle itself. These values are calculated using the
current COM and orientation of the body particle. current COM and orientation of the body particle.
For images created by the "dump image"_dump_image.html command, if the For images created by the "dump image"_dump_image.html command, if the
{body} keyword is set to {yes}, then each body particle is drawn as a {body} keyword is set, then each body particle is drawn as a convex
convex polygon consisting of N line segments. Note that the line polygon consisting of N line segments. Note that the line segments
segments are drawn between the N vertices, which does not correspond are drawn between the N vertices, which does not correspond exactly to
exactly to the physical extent of the body (because the "pair_style the physical extent of the body (because the "pair_style
rounded/polygon"_pair_body_rounded_polygon.cpp defines finite-size rounded/polygon"_pair_body_rounded_polygon.cpp defines finite-size
spheres at those point and the line segments between the spheres are spheres at those point and the line segments between the spheres are
tangent to the spheres). The drawn diameter of each line segment is tangent to the spheres). The drawn diameter of each line segment is

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@ -126,9 +126,6 @@
<div class="section" id="pair-style-line-lj-command"> <div class="section" id="pair-style-line-lj-command">
<span id="index-0"></span><h1>pair_style line/lj command<a class="headerlink" href="#pair-style-line-lj-command" title="Permalink to this headline"></a></h1> <span id="index-0"></span><h1>pair_style line/lj command<a class="headerlink" href="#pair-style-line-lj-command" title="Permalink to this headline"></a></h1>
</div>
<div class="section" id="pair-style-line-lj-omp-command">
<h1>pair_style line/lj/omp command<a class="headerlink" href="#pair-style-line-lj-omp-command" title="Permalink to this headline"></a></h1>
<div class="section" id="syntax"> <div class="section" id="syntax">
<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline"></a></h2> <h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline"></a></h2>
<div class="highlight-python"><div class="highlight"><pre>pair_style line/lj cutoff <div class="highlight-python"><div class="highlight"><pre>pair_style line/lj cutoff
@ -227,22 +224,6 @@ and a point particle is calculated.</p>
<p>The <em>cutoff</em> coefficient is optional. If not specified, the global <p>The <em>cutoff</em> coefficient is optional. If not specified, the global
cutoff is used.</p> cutoff is used.</p>
<hr class="docutils" /> <hr class="docutils" />
<p>Styles with a <em>cuda</em>, <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><em>Section_accelerate</em></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
<p>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
KOKKOS, USER-OMP and OPT packages, respectively. They are only
enabled if LAMMPS was built with those packages. See the <a class="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 <a class="reference internal" href="Section_start.html#start-7"><span>-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><em>suffix</em></a> command in your input script.</p>
<p>See <a class="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>
<hr class="docutils" />
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p> <p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
<p>For atom type pairs I,J and I != J, coeffiecients must be specified. <p>For atom type pairs I,J and I != J, coeffiecients must be specified.
No default mixing rules are used.</p> No default mixing rules are used.</p>

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@ -7,7 +7,6 @@
:line :line
pair_style line/lj command :h3 pair_style line/lj command :h3
pair_style line/lj/omp command :h3
[Syntax:] [Syntax:]
@ -111,29 +110,6 @@ cutoff is used.
:line :line
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
KOKKOS, USER-OMP and OPT packages, respectively. They are only
enabled if LAMMPS was built with those packages. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
use the "suffix"_suffix.html command in your input script.
See "Section_accelerate"_Section_accelerate.html of the manual for
more instructions on how to use the accelerated styles effectively.
:line
[Mixing, shift, table, tail correction, restart, rRESPA info]: [Mixing, shift, table, tail correction, restart, rRESPA info]:
For atom type pairs I,J and I != J, coeffiecients must be specified. For atom type pairs I,J and I != J, coeffiecients must be specified.

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@ -126,9 +126,6 @@
<div class="section" id="pair-style-tri-lj-command"> <div class="section" id="pair-style-tri-lj-command">
<span id="index-0"></span><h1>pair_style tri/lj command<a class="headerlink" href="#pair-style-tri-lj-command" title="Permalink to this headline"></a></h1> <span id="index-0"></span><h1>pair_style tri/lj command<a class="headerlink" href="#pair-style-tri-lj-command" title="Permalink to this headline"></a></h1>
</div>
<div class="section" id="pair-style-tri-lj-omp-command">
<h1>pair_style tri/lj/omp command<a class="headerlink" href="#pair-style-tri-lj-omp-command" title="Permalink to this headline"></a></h1>
<div class="section" id="syntax"> <div class="section" id="syntax">
<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline"></a></h2> <h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline"></a></h2>
<div class="highlight-python"><div class="highlight"><pre>pair_style tri/lj cutoff <div class="highlight-python"><div class="highlight"><pre>pair_style tri/lj cutoff
@ -197,22 +194,6 @@ commands:</p>
<p>The last coefficient is optional. If not specified, the global cutoff <p>The last coefficient is optional. If not specified, the global cutoff
is used.</p> is used.</p>
<hr class="docutils" /> <hr class="docutils" />
<p>Styles with a <em>cuda</em>, <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><em>Section_accelerate</em></a>
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.</p>
<p>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
KOKKOS, USER-OMP and OPT packages, respectively. They are only
enabled if LAMMPS was built with those packages. See the <a class="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 <a class="reference internal" href="Section_start.html#start-7"><span>-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
use the <a class="reference internal" href="suffix.html"><em>suffix</em></a> command in your input script.</p>
<p>See <a class="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>
<hr class="docutils" />
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p> <p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
<p>For atom type pairs I,J and I != J, the epsilon and sigma coefficients <p>For atom type pairs I,J and I != J, the epsilon and sigma coefficients
and cutoff distance for all of this pair style can be mixed. The and cutoff distance for all of this pair style can be mixed. The

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@ -7,7 +7,6 @@
:line :line
pair_style tri/lj command :h3 pair_style tri/lj command :h3
pair_style tri/lj/omp command :h3
[Syntax:] [Syntax:]
@ -80,29 +79,6 @@ is used.
:line :line
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
KOKKOS, USER-OMP and OPT packages, respectively. They are only
enabled if LAMMPS was built with those packages. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
use the "suffix"_suffix.html command in your input script.
See "Section_accelerate"_Section_accelerate.html of the manual for
more instructions on how to use the accelerated styles effectively.
:line
[Mixing, shift, table, tail correction, restart, rRESPA info]: [Mixing, shift, table, tail correction, restart, rRESPA info]:
For atom type pairs I,J and I != J, the epsilon and sigma coefficients For atom type pairs I,J and I != J, the epsilon and sigma coefficients

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