git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14447 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -1071,7 +1071,7 @@ KOKKOS, o = USER-OMP, t = OPT.</p>
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<td><a class="reference internal" href="pair_kim.html"><em>kim</em></a></td>
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<td><a class="reference internal" href="pair_kim.html"><em>kim</em></a></td>
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<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>
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</tr>
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</tr>
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<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>
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<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>
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<td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/charmm/implicit (cko)</em></a></td>
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<td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/charmm/implicit (cko)</em></a></td>
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<td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/long (cgiko)</em></a></td>
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<td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/long (cgiko)</em></a></td>
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@ -1142,7 +1142,7 @@ KOKKOS, o = USER-OMP, t = OPT.</p>
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<td><a class="reference internal" href="pair_coul.html"><em>tip4p/cut (o)</em></a></td>
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<td><a class="reference internal" href="pair_coul.html"><em>tip4p/cut (o)</em></a></td>
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</tr>
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</tr>
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<tr class="row-odd"><td><a class="reference internal" href="pair_coul.html"><em>tip4p/long (o)</em></a></td>
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<tr class="row-odd"><td><a class="reference internal" href="pair_coul.html"><em>tip4p/long (o)</em></a></td>
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<td><a class="reference internal" href="pair_tri_lj.html"><em>tri/lj (o)</em></a></td>
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<td><a class="reference internal" href="pair_tri_lj.html"><em>tri/lj</em></a></td>
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<td><a class="reference internal" href="pair_vashishta.html"><em>vashishta (o)</em></a></td>
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<td><a class="reference internal" href="pair_vashishta.html"><em>vashishta (o)</em></a></td>
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<td><a class="reference internal" href="pair_yukawa.html"><em>yukawa (go)</em></a></td>
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<td><a class="reference internal" href="pair_yukawa.html"><em>yukawa (go)</em></a></td>
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</tr>
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</tr>
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@ -833,7 +833,7 @@ KOKKOS, o = USER-OMP, t = OPT.
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"hbond/dreiding/morse (o)"_pair_hbond_dreiding.html,
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"hbond/dreiding/morse (o)"_pair_hbond_dreiding.html,
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"kim"_pair_kim.html,
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"kim"_pair_kim.html,
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"lcbop"_pair_lcbop.html,
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"lcbop"_pair_lcbop.html,
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"line/lj (o)"_pair_line_lj.html,
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"line/lj"_pair_line_lj.html,
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"lj/charmm/coul/charmm (cko)"_pair_charmm.html,
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"lj/charmm/coul/charmm (cko)"_pair_charmm.html,
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||||||
"lj/charmm/coul/charmm/implicit (cko)"_pair_charmm.html,
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"lj/charmm/coul/charmm/implicit (cko)"_pair_charmm.html,
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"lj/charmm/coul/long (cgiko)"_pair_charmm.html,
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"lj/charmm/coul/long (cgiko)"_pair_charmm.html,
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@ -890,7 +890,7 @@ KOKKOS, o = USER-OMP, t = OPT.
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"tersoff/zbl (ko)"_pair_tersoff_zbl.html,
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"tersoff/zbl (ko)"_pair_tersoff_zbl.html,
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"tip4p/cut (o)"_pair_coul.html,
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"tip4p/cut (o)"_pair_coul.html,
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"tip4p/long (o)"_pair_coul.html,
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"tip4p/long (o)"_pair_coul.html,
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"tri/lj (o)"_pair_tri_lj.html,
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"tri/lj"_pair_tri_lj.html,
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"vashishta (o)"_pair_vashishta.html,
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"vashishta (o)"_pair_vashishta.html,
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"yukawa (go)"_pair_yukawa.html,
|
"yukawa (go)"_pair_yukawa.html,
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||||||
"yukawa/colloid (go)"_pair_yukawa_colloid.html,
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"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
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the body particle itself. These values are calculated using the
|
the body particle itself. These values are calculated using the
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||||||
current COM and orientation of the body particle.</p>
|
current COM and orientation of the body particle.</p>
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||||||
<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.
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||||||
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>
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|||||||
<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
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||||||
polygon with a variable number N > 2 of vertices, which can only be
|
polygon with a variable number N > 2 of vertices, which can only be
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||||||
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
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||||||
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
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||||||
@ -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
|
||||||
|
|||||||
10
doc/body.txt
10
doc/body.txt
@ -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
|
||||||
|
|||||||
@ -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>
|
||||||
|
|||||||
@ -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.
|
||||||
|
|||||||
@ -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
|
||||||
|
|||||||
@ -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
|
||||||
|
|||||||
File diff suppressed because one or more lines are too long
Reference in New Issue
Block a user