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8
doc/Manual.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>LAMMPS Documentation &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>LAMMPS Documentation &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<link rel="next" title="1. Introduction" href="Section_intro.html"/> <link rel="next" title="1. Introduction" href="Section_intro.html"/>
@ -135,7 +135,7 @@
<H1></H1><div class="section" id="lammps-documentation"> <H1></H1><div class="section" id="lammps-documentation">
<h1>LAMMPS Documentation<a class="headerlink" href="#lammps-documentation" title="Permalink to this headline"></a></h1> <h1>LAMMPS Documentation<a class="headerlink" href="#lammps-documentation" title="Permalink to this headline"></a></h1>
<div class="section" id="dec-2015-version"> <div class="section" id="dec-2015-version">
<h2>15 Dec 2015 version<a class="headerlink" href="#dec-2015-version" title="Permalink to this headline"></a></h2> <h2>17 Dec 2015 version<a class="headerlink" href="#dec-2015-version" title="Permalink to this headline"></a></h2>
</div> </div>
<div class="section" id="version-info"> <div class="section" id="version-info">
<h2>Version info:<a class="headerlink" href="#version-info" title="Permalink to this headline"></a></h2> <h2>Version info:<a class="headerlink" href="#version-info" title="Permalink to this headline"></a></h2>
@ -422,7 +422,7 @@ it gives quick access to documentation for all LAMMPS commands.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

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doc/Manual.txt
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@ -1,7 +1,7 @@
<!-- HTML_ONLY --> <!-- HTML_ONLY -->
<HEAD> <HEAD>
<TITLE>LAMMPS Users Manual</TITLE> <TITLE>LAMMPS Users Manual</TITLE>
<META NAME="docnumber" CONTENT="15 Dec 2015 version"> <META NAME="docnumber" CONTENT="17 Dec 2015 version">
<META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories"> <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."> <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
</HEAD> </HEAD>
@ -21,7 +21,7 @@
<H1></H1> <H1></H1>
LAMMPS Documentation :c,h3 LAMMPS Documentation :c,h3
15 Dec 2015 version :c,h4 17 Dec 2015 version :c,h4
Version info: :h4 Version info: :h4

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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>5. Accelerating LAMMPS performance &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>5. Accelerating LAMMPS performance &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<link rel="next" title="6. How-to discussions" href="Section_howto.html"/> <link rel="next" title="6. How-to discussions" href="Section_howto.html"/>
<link rel="prev" title="4. Packages" href="Section_packages.html"/> <link rel="prev" title="4. Packages" href="Section_packages.html"/>
@ -608,7 +608,7 @@ to benchmark the performance of both packages on your system.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>3. Commands &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>3. Commands &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<link rel="next" title="4. Packages" href="Section_packages.html"/> <link rel="next" title="4. Packages" href="Section_packages.html"/>
<link rel="prev" title="2. Getting Started" href="Section_start.html"/> <link rel="prev" title="2. Getting Started" href="Section_start.html"/>
@ -612,7 +612,7 @@ g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.</p>
<col width="12%" /> <col width="12%" />
<col width="13%" /> <col width="13%" />
<col width="10%" /> <col width="10%" />
<col width="11%" /> <col width="12%" />
<col width="15%" /> <col width="15%" />
<col width="12%" /> <col width="12%" />
</colgroup> </colgroup>
@ -663,11 +663,11 @@ g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.</p>
<td><a class="reference internal" href="fix_nph_asphere.html"><em>nph/asphere (o)</em></a></td> <td><a class="reference internal" href="fix_nph_asphere.html"><em>nph/asphere (o)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="fix_nph_sphere.html"><em>nph/sphere (o)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="fix_nph_sphere.html"><em>nph/sphere (o)</em></a></td>
<td><a class="reference internal" href="fix_nh.html"><em>npt (cko)</em></a></td> <td><a class="reference internal" href="fix_nh.html"><em>npt (ckio)</em></a></td>
<td><a class="reference internal" href="fix_npt_asphere.html"><em>npt/asphere (o)</em></a></td> <td><a class="reference internal" href="fix_npt_asphere.html"><em>npt/asphere (o)</em></a></td>
<td><a class="reference internal" href="fix_npt_sphere.html"><em>npt/sphere (o)</em></a></td> <td><a class="reference internal" href="fix_npt_sphere.html"><em>npt/sphere (o)</em></a></td>
<td><a class="reference internal" href="fix_nve.html"><em>nve (cko)</em></a></td> <td><a class="reference internal" href="fix_nve.html"><em>nve (ckio)</em></a></td>
<td><a class="reference internal" href="fix_nve_asphere.html"><em>nve/asphere</em></a></td> <td><a class="reference internal" href="fix_nve_asphere.html"><em>nve/asphere (i)</em></a></td>
<td><a class="reference internal" href="fix_nve_asphere_noforce.html"><em>nve/asphere/noforce</em></a></td> <td><a class="reference internal" href="fix_nve_asphere_noforce.html"><em>nve/asphere/noforce</em></a></td>
<td><a class="reference internal" href="fix_nve_body.html"><em>nve/body</em></a></td> <td><a class="reference internal" href="fix_nve_body.html"><em>nve/body</em></a></td>
</tr> </tr>
@ -1029,10 +1029,10 @@ KOKKOS, o = USER-OMP, t = OPT.</p>
<tr class="row-even"><td><a class="reference internal" href="pair_born.html"><em>born/coul/wolf (go)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="pair_born.html"><em>born/coul/wolf (go)</em></a></td>
<td><a class="reference internal" href="pair_brownian.html"><em>brownian (o)</em></a></td> <td><a class="reference internal" href="pair_brownian.html"><em>brownian (o)</em></a></td>
<td><a class="reference internal" href="pair_brownian.html"><em>brownian/poly (o)</em></a></td> <td><a class="reference internal" href="pair_brownian.html"><em>brownian/poly (o)</em></a></td>
<td><a class="reference internal" href="pair_buck.html"><em>buck (cgko)</em></a></td> <td><a class="reference internal" href="pair_buck.html"><em>buck (cgkio)</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_buck.html"><em>buck/coul/cut (cgko)</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="pair_buck.html"><em>buck/coul/cut (cgkio)</em></a></td>
<td><a class="reference internal" href="pair_buck.html"><em>buck/coul/long (cgko)</em></a></td> <td><a class="reference internal" href="pair_buck.html"><em>buck/coul/long (cgkio)</em></a></td>
<td><a class="reference internal" href="pair_buck.html"><em>buck/coul/long/cs</em></a></td> <td><a class="reference internal" href="pair_buck.html"><em>buck/coul/long/cs</em></a></td>
<td><a class="reference internal" href="pair_buck.html"><em>buck/coul/msm (o)</em></a></td> <td><a class="reference internal" href="pair_buck.html"><em>buck/coul/msm (o)</em></a></td>
</tr> </tr>
@ -1136,7 +1136,7 @@ KOKKOS, o = USER-OMP, t = OPT.</p>
<td><a class="reference internal" href="pair_sw.html"><em>sw (cgkio)</em></a></td> <td><a class="reference internal" href="pair_sw.html"><em>sw (cgkio)</em></a></td>
<td><a class="reference internal" href="pair_table.html"><em>table (gko)</em></a></td> <td><a class="reference internal" href="pair_table.html"><em>table (gko)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="pair_tersoff.html"><em>tersoff (cgko)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="pair_tersoff.html"><em>tersoff (cgkio)</em></a></td>
<td><a class="reference internal" href="pair_tersoff_mod.html"><em>tersoff/mod (ko)</em></a></td> <td><a class="reference internal" href="pair_tersoff_mod.html"><em>tersoff/mod (ko)</em></a></td>
<td><a class="reference internal" href="pair_tersoff_zbl.html"><em>tersoff/zbl (ko)</em></a></td> <td><a class="reference internal" href="pair_tersoff_zbl.html"><em>tersoff/zbl (ko)</em></a></td>
<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>
@ -1502,7 +1502,7 @@ KOKKOS, o = USER-OMP, t = OPT.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

14
doc/Section_commands.txt
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@ -522,11 +522,11 @@ g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.
"nphug (o)"_fix_nphug.html, "nphug (o)"_fix_nphug.html,
"nph/asphere (o)"_fix_nph_asphere.html, "nph/asphere (o)"_fix_nph_asphere.html,
"nph/sphere (o)"_fix_nph_sphere.html, "nph/sphere (o)"_fix_nph_sphere.html,
"npt (cko)"_fix_nh.html, "npt (ckio)"_fix_nh.html,
"npt/asphere (o)"_fix_npt_asphere.html, "npt/asphere (o)"_fix_npt_asphere.html,
"npt/sphere (o)"_fix_npt_sphere.html, "npt/sphere (o)"_fix_npt_sphere.html,
"nve (cko)"_fix_nve.html, "nve (ckio)"_fix_nve.html,
"nve/asphere"_fix_nve_asphere.html, "nve/asphere (i)"_fix_nve_asphere.html,
"nve/asphere/noforce"_fix_nve_asphere_noforce.html, "nve/asphere/noforce"_fix_nve_asphere_noforce.html,
"nve/body"_fix_nve_body.html, "nve/body"_fix_nve_body.html,
"nve/limit"_fix_nve_limit.html, "nve/limit"_fix_nve_limit.html,
@ -799,9 +799,9 @@ KOKKOS, o = USER-OMP, t = OPT.
"born/coul/wolf (go)"_pair_born.html, "born/coul/wolf (go)"_pair_born.html,
"brownian (o)"_pair_brownian.html, "brownian (o)"_pair_brownian.html,
"brownian/poly (o)"_pair_brownian.html, "brownian/poly (o)"_pair_brownian.html,
"buck (cgko)"_pair_buck.html, "buck (cgkio)"_pair_buck.html,
"buck/coul/cut (cgko)"_pair_buck.html, "buck/coul/cut (cgkio)"_pair_buck.html,
"buck/coul/long (cgko)"_pair_buck.html, "buck/coul/long (cgkio)"_pair_buck.html,
"buck/coul/long/cs"_pair_buck.html, "buck/coul/long/cs"_pair_buck.html,
"buck/coul/msm (o)"_pair_buck.html, "buck/coul/msm (o)"_pair_buck.html,
"buck/long/coul/long (o)"_pair_buck_long.html, "buck/long/coul/long (o)"_pair_buck_long.html,
@ -884,7 +884,7 @@ KOKKOS, o = USER-OMP, t = OPT.
"soft (go)"_pair_soft.html, "soft (go)"_pair_soft.html,
"sw (cgkio)"_pair_sw.html, "sw (cgkio)"_pair_sw.html,
"table (gko)"_pair_table.html, "table (gko)"_pair_table.html,
"tersoff (cgko)"_pair_tersoff.html, "tersoff (cgkio)"_pair_tersoff.html,
"tersoff/mod (ko)"_pair_tersoff_mod.html, "tersoff/mod (ko)"_pair_tersoff_mod.html,
"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,

6
doc/Section_errors.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>12. Errors &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>12. Errors &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<link rel="next" title="13. Future and history" href="Section_history.html"/> <link rel="next" title="13. Future and history" href="Section_history.html"/>
<link rel="prev" title="11. Python interface to LAMMPS" href="Section_python.html"/> <link rel="prev" title="11. Python interface to LAMMPS" href="Section_python.html"/>
@ -6344,7 +6344,7 @@ infinity.</dd>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>7. Example problems &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>7. Example problems &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<link rel="next" title="8. Performance &amp; scalability" href="Section_perf.html"/> <link rel="next" title="8. Performance &amp; scalability" href="Section_perf.html"/>
<link rel="prev" title="6. How-to discussions" href="Section_howto.html"/> <link rel="prev" title="6. How-to discussions" href="Section_howto.html"/>
@ -367,7 +367,7 @@ packages.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>13. Future and history &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>13. Future and history &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<link rel="prev" title="12. Errors" href="Section_errors.html"/> <link rel="prev" title="12. Errors" href="Section_errors.html"/>
@ -279,7 +279,7 @@ internally. A brief listing of their features is given here.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

18
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>6. How-to discussions &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>6. How-to discussions &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<link rel="next" title="7. Example problems" href="Section_example.html"/> <link rel="next" title="7. Example problems" href="Section_example.html"/>
<link rel="prev" title="5. Accelerating LAMMPS performance" href="Section_accelerate.html"/> <link rel="prev" title="5. Accelerating LAMMPS performance" href="Section_accelerate.html"/>
@ -363,8 +363,8 @@ commands like <a class="reference internal" href="pair_coeff.html"><em>pair_coef
<a class="reference internal" href="bond_coeff.html"><em>bond_coeff</em></a>. See <a class="reference internal" href="Section_tools.html"><em>Section_tools</em></a> <a class="reference internal" href="bond_coeff.html"><em>bond_coeff</em></a>. See <a class="reference internal" href="Section_tools.html"><em>Section_tools</em></a>
for additional tools that can use CHARMM or AMBER to assign force for additional tools that can use CHARMM or AMBER to assign force
field coefficients and convert their output into LAMMPS input.</p> field coefficients and convert their output into LAMMPS input.</p>
<p>See <a class="reference internal" href="pair_charmm.html#mackerell"><span>(MacKerell)</span></a> for a description of the CHARMM force <p>See <a class="reference internal" href="special_bonds.html#mackerell"><span>(MacKerell)</span></a> for a description of the CHARMM force
field. See <a class="reference internal" href="dihedral_charmm.html#cornell"><span>(Cornell)</span></a> for a description of the AMBER force field. See <a class="reference internal" href="special_bonds.html#cornell"><span>(Cornell)</span></a> for a description of the AMBER force
field.</p> field.</p>
<p>These style choices compute force field formulas that are consistent <p>These style choices compute force field formulas that are consistent
with common options in CHARMM or AMBER. See each command&#8217;s with common options in CHARMM or AMBER. See each command&#8217;s
@ -389,7 +389,7 @@ atoms involved in the bond, angle, or torsion terms. DREIDING has an
<a class="reference internal" href="pair_hbond_dreiding.html"><em>explicit hydrogen bond term</em></a> to describe <a class="reference internal" href="pair_hbond_dreiding.html"><em>explicit hydrogen bond term</em></a> to describe
interactions involving a hydrogen atom on very electronegative atoms interactions involving a hydrogen atom on very electronegative atoms
(N, O, F).</p> (N, O, F).</p>
<p>See <a class="reference internal" href="pair_hbond_dreiding.html#mayo"><span>(Mayo)</span></a> for a description of the DREIDING force field</p> <p>See <a class="reference internal" href="special_bonds.html#mayo"><span>(Mayo)</span></a> for a description of the DREIDING force field</p>
<p>These style choices compute force field formulas that are consistent <p>These style choices compute force field formulas that are consistent
with the DREIDING force field. See each command&#8217;s with the DREIDING force field. See each command&#8217;s
documentation for the formula it computes.</p> documentation for the formula it computes.</p>
@ -587,7 +587,7 @@ computations between frozen atoms by using this command:</p>
<div class="section" id="tip3p-water-model"> <div class="section" id="tip3p-water-model">
<span id="howto-7"></span><h2>6.7. TIP3P water model<a class="headerlink" href="#tip3p-water-model" title="Permalink to this headline"></a></h2> <span id="howto-7"></span><h2>6.7. TIP3P water model<a class="headerlink" href="#tip3p-water-model" title="Permalink to this headline"></a></h2>
<p>The TIP3P water model as implemented in CHARMM <p>The TIP3P water model as implemented in CHARMM
<a class="reference internal" href="pair_charmm.html#mackerell"><span>(MacKerell)</span></a> specifies a 3-site rigid water molecule with <a class="reference internal" href="special_bonds.html#mackerell"><span>(MacKerell)</span></a> specifies a 3-site rigid water molecule with
charges and Lennard-Jones parameters assigned to each of the 3 atoms. charges and Lennard-Jones parameters assigned to each of the 3 atoms.
In LAMMPS the <a class="reference internal" href="fix_shake.html"><em>fix shake</em></a> command can be used to hold In LAMMPS the <a class="reference internal" href="fix_shake.html"><em>fix shake</em></a> command can be used to hold
the two O-H bonds and the H-O-H angle rigid. A bond style of the two O-H bonds and the H-O-H angle rigid. A bond style of
@ -766,7 +766,7 @@ the partial charge assignemnts change:</p>
<div class="line">H charge = 0.4238</div> <div class="line">H charge = 0.4238</div>
<div class="line"><br /></div> <div class="line"><br /></div>
</div> </div>
<p>See the <a class="reference internal" href="#berendsen"><span>(Berendsen)</span></a> reference for more details on both <p>See the <a class="reference internal" href="fix_temp_berendsen.html#berendsen"><span>(Berendsen)</span></a> reference for more details on both
the SPC and SPC/E models.</p> the SPC and SPC/E models.</p>
<p>Wikipedia also has a nice article on <a class="reference external" href="http://en.wikipedia.org/wiki/Water_model">water models</a>.</p> <p>Wikipedia also has a nice article on <a class="reference external" href="http://en.wikipedia.org/wiki/Water_model">water models</a>.</p>
<hr class="docutils" /> <hr class="docutils" />
@ -2749,7 +2749,7 @@ fix ave_chunk all ave/time 10 1 10 c_cstherm file chunk.dump mode vector
model, representes induced dipoles by a pair of charges (the core atom model, representes induced dipoles by a pair of charges (the core atom
and the Drude particle) connected by a harmonic spring. The Drude and the Drude particle) connected by a harmonic spring. The Drude
model has a number of features aimed at its use in molecular systems model has a number of features aimed at its use in molecular systems
(<a class="reference internal" href="#lamoureux"><span>Lamoureux and Roux</span></a>):</p> (<a class="reference internal" href="tutorial_drude.html#lamoureux"><span>Lamoureux and Roux</span></a>):</p>
<ul class="simple"> <ul class="simple">
<li>Thermostating of the additional degrees of freedom associated with the <li>Thermostating of the additional degrees of freedom associated with the
induced dipoles at very low temperature, in terms of the reduced induced dipoles at very low temperature, in terms of the reduced
@ -2856,7 +2856,7 @@ Phys, 79, 926 (1983).</p>
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@ -32,7 +32,7 @@
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@ -661,7 +661,7 @@ version of LAMMPS were the following:</p>
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@ -8,7 +8,7 @@
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@ -32,7 +32,7 @@
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@ -1220,7 +1220,7 @@ feature.</p>
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@ -8,7 +8,7 @@
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@ -32,7 +32,7 @@
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@ -1557,7 +1557,7 @@ you have questions.</p>
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@ -8,7 +8,7 @@
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@ -32,7 +32,7 @@
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@ -270,7 +270,7 @@ on 1500 processors that ran at 85% parallel efficiency.</p>
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@ -8,7 +8,7 @@
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@ -32,7 +32,7 @@
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@ -1016,7 +1016,7 @@ different visualization package options. Click to see larger images:</p>
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@ -8,7 +8,7 @@
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@ -32,7 +32,7 @@
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@ -1955,7 +1955,7 @@ close if you have setup the problem for both codes the same.</p>
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@ -8,7 +8,7 @@
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@ -32,7 +32,7 @@
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@ -673,7 +673,7 @@ distributing his great tool!</p>
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@ -32,7 +32,7 @@
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@ -338,7 +338,7 @@ occurs, the faster your simulation will run.</li>
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@ -32,7 +32,7 @@
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@ -367,7 +367,7 @@ storage by a single MPI process.</li>
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@ -8,7 +8,7 @@
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@ -32,7 +32,7 @@
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@ -428,7 +428,7 @@ supported.</p>
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@ -32,7 +32,7 @@
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@ -586,7 +586,7 @@ change in the future.</p>
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@ -32,7 +32,7 @@
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@ -303,7 +303,7 @@ MPI tasks to a (multi-core) socket, should solve this issue.</li>
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@ -32,7 +32,7 @@
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@ -205,7 +205,7 @@ of a run. On most machines for reasonable problem sizes, it will be a
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@ -8,7 +8,7 @@
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<title>angle_style charmm command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>angle_style charmm command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
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@ -152,7 +152,7 @@ angle_coeff 1 300.0 107.0 50.0 3.0
<p>with an additional Urey_Bradley term based on the distance <em>r</em> between <p>with an additional Urey_Bradley term based on the distance <em>r</em> between
the 1st and 3rd atoms in the angle. K, theta0, Kub, and Rub are the 1st and 3rd atoms in the angle. K, theta0, Kub, and Rub are
coefficients defined for each angle type.</p> coefficients defined for each angle type.</p>
<p>See <a class="reference internal" href="pair_charmm.html#mackerell"><span>(MacKerell)</span></a> for a description of the CHARMM force <p>See <a class="reference internal" href="special_bonds.html#mackerell"><span>(MacKerell)</span></a> for a description of the CHARMM force
field.</p> field.</p>
<p>The following coefficients must be defined for each angle type via the <p>The following coefficients must be defined for each angle type via the
<a class="reference internal" href="angle_coeff.html"><em>angle_coeff</em></a> command as in the example above, or in <a class="reference internal" href="angle_coeff.html"><em>angle_coeff</em></a> command as in the example above, or in
@ -230,7 +230,7 @@ Fischer, Gao, Guo, Ha, et al, J Phys Chem, 102, 3586 (1998).</p>
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@ -8,7 +8,7 @@
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<title>angle_style class2 command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>angle_style class2 command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
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@ -151,7 +151,7 @@ angle_coeff * ba 3.6551 24.895 1.0119 1.5228
<p>where Ea is the angle term, Ebb is a bond-bond term, and Eba is a <p>where Ea is the angle term, Ebb is a bond-bond term, and Eba is a
bond-angle term. Theta0 is the equilibrium angle and r1 and r2 are bond-angle term. Theta0 is the equilibrium angle and r1 and r2 are
the equilibrium bond lengths.</p> the equilibrium bond lengths.</p>
<p>See <a class="reference internal" href="pair_class2.html#sun"><span>(Sun)</span></a> for a description of the COMPASS class2 force field.</p> <p>See <a class="reference internal" href="pair_modify.html#sun"><span>(Sun)</span></a> for a description of the COMPASS class2 force field.</p>
<p>Coefficients for the Ea, Ebb, and Eba formulas must be defined for <p>Coefficients for the Ea, Ebb, and Eba formulas must be defined for
each angle type via the <a class="reference internal" href="angle_coeff.html"><em>angle_coeff</em></a> command as in each angle type via the <a class="reference internal" href="angle_coeff.html"><em>angle_coeff</em></a> command as in
the example above, or in the data file or restart files read by the the example above, or in the data file or restart files read by the
@ -257,7 +257,7 @@ for more info on packages.</p>
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@ -32,7 +32,7 @@
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@ -245,7 +245,7 @@ set, either in the input script or in a data file.</p>
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@ -32,7 +32,7 @@
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@ -215,7 +215,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
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<title>angle_style cosine/delta command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>angle_style cosine/delta command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -219,7 +219,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>angle_style cosine/periodic command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>angle_style cosine/periodic command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -151,7 +151,7 @@ used for an octahedral complex and <em>n</em> = 3 might be used for a
trigonal center:</p> trigonal center:</p>
<img alt="_images/angle_cosine_periodic.jpg" class="align-center" src="_images/angle_cosine_periodic.jpg" /> <img alt="_images/angle_cosine_periodic.jpg" class="align-center" src="_images/angle_cosine_periodic.jpg" />
<p>where C, B and n are coefficients defined for each angle type.</p> <p>where C, B and n are coefficients defined for each angle type.</p>
<p>See <a class="reference internal" href="pair_hbond_dreiding.html#mayo"><span>(Mayo)</span></a> for a description of the DREIDING force field</p> <p>See <a class="reference internal" href="special_bonds.html#mayo"><span>(Mayo)</span></a> for a description of the DREIDING force field</p>
<p>The following coefficients must be defined for each angle type via the <p>The following coefficients must be defined for each angle type via the
<a class="reference internal" href="angle_coeff.html"><em>angle_coeff</em></a> command as in the example above, or in <a class="reference internal" href="angle_coeff.html"><em>angle_coeff</em></a> command as in the example above, or in
the data file or restart files read by the <a class="reference internal" href="read_data.html"><em>read_data</em></a> the data file or restart files read by the <a class="reference internal" href="read_data.html"><em>read_data</em></a>
@ -229,7 +229,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
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FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>angle_style cosine/shift command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>angle_style cosine/shift command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -220,7 +220,7 @@ section for more info on packages.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
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FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>angle_style cosine/shift/exp command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>angle_style cosine/shift/exp command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -231,7 +231,7 @@ section for more info on packages.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
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FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>angle_style cosine/squared command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>angle_style cosine/squared command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -219,7 +219,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>angle_style dipole command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>angle_style dipole command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -258,7 +258,7 @@ Clarendon Press, Oxford, 1987.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
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FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>angle_style fourier command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>angle_style fourier command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -216,7 +216,7 @@ section for more info on packages.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>angle_style fourier/simple command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>angle_style fourier/simple command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -215,7 +215,7 @@ section for more info on packages.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
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FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>angle_style harmonic command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>angle_style harmonic command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -224,7 +224,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>angle_style hybrid command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>angle_style hybrid command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -240,7 +240,7 @@ file, you need to re-specify angle_coeff commands.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
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FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>angle_style none command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>angle_style none command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -184,7 +184,7 @@ if triplets of angle atoms were listed in the data file read by the
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
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FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>angle_style quartic command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>angle_style quartic command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -222,7 +222,7 @@ section for more info on packages.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>angle_style sdk command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>angle_style sdk command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -208,7 +208,7 @@ USER-CG-CMM package. See the <a class="reference internal" href="Section_start.
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
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FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>angle_style command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>angle_style command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -243,7 +243,7 @@ package.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
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FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>angle_style table command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>angle_style table command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -293,7 +293,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>atom_modify command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>atom_modify command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -309,7 +309,7 @@ cutoff will be used to set the bin size.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
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FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>atom_style command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>atom_style command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -448,7 +448,7 @@ only enabled if LAMMPS was built with that package. See the <a class="reference
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
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FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>balance command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>balance command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -508,7 +508,7 @@ appear in <em>dimstr</em> for the <em>shift</em> style.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
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FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

8
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>Body particles &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>Body particles &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -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="#fraige"><span>Fraige</span></a>. Similar to discrete element models, as described in <a class="reference internal" href="pair_body_rounded_polygon.html#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
@ -418,7 +418,7 @@ Particuology, 6, 455 (2008).</p>
<script type="text/javascript"> <script type="text/javascript">
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>bond_style class2 command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>bond_style class2 command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -147,7 +147,7 @@ bond_coeff 1 1.0 100.0 80.0 80.0
<p>The <em>class2</em> bond style uses the potential</p> <p>The <em>class2</em> bond style uses the potential</p>
<img alt="_images/bond_class2.jpg" class="align-center" src="_images/bond_class2.jpg" /> <img alt="_images/bond_class2.jpg" class="align-center" src="_images/bond_class2.jpg" />
<p>where r0 is the equilibrium bond distance.</p> <p>where r0 is the equilibrium bond distance.</p>
<p>See <a class="reference internal" href="pair_class2.html#sun"><span>(Sun)</span></a> for a description of the COMPASS class2 force field.</p> <p>See <a class="reference internal" href="pair_modify.html#sun"><span>(Sun)</span></a> for a description of the COMPASS class2 force field.</p>
<p>The following coefficients must be defined for each bond type via the <p>The following coefficients must be defined for each bond type via the
<a class="reference internal" href="bond_coeff.html"><em>bond_coeff</em></a> command as in the example above, or in <a class="reference internal" href="bond_coeff.html"><em>bond_coeff</em></a> command as in the example above, or in
the data file or restart files read by the <a class="reference internal" href="read_data.html"><em>read_data</em></a> the data file or restart files read by the <a class="reference internal" href="read_data.html"><em>read_data</em></a>
@ -222,7 +222,7 @@ for more info on packages.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
doc/bond_coeff.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>bond_coeff command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>bond_coeff command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -242,7 +242,7 @@ either in the input script or in a data file.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
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FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

8
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>bond_style fene command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>bond_style fene command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -150,7 +150,7 @@ bond_coeff 1 30.0 1.5 1.0 1.0
<p>The <em>fene</em> bond style uses the potential</p> <p>The <em>fene</em> bond style uses the potential</p>
<img alt="_images/bond_fene.jpg" class="align-center" src="_images/bond_fene.jpg" /> <img alt="_images/bond_fene.jpg" class="align-center" src="_images/bond_fene.jpg" />
<p>to define a finite extensible nonlinear elastic (FENE) potential <p>to define a finite extensible nonlinear elastic (FENE) potential
<a class="reference internal" href="bond_fene_expand.html#kremer"><span>(Kremer)</span></a>, used for bead-spring polymer models. The first <a class="reference internal" href="special_bonds.html#kremer"><span>(Kremer)</span></a>, used for bead-spring polymer models. The first
term is attractive, the 2nd Lennard-Jones term is repulsive. The term is attractive, the 2nd Lennard-Jones term is repulsive. The
first term extends to R0, the maximum extent of the bond. The 2nd first term extends to R0, the maximum extent of the bond. The 2nd
term is cutoff at 2^(1/6) sigma, the minimum of the LJ potential.</p> term is cutoff at 2^(1/6) sigma, the minimum of the LJ potential.</p>
@ -230,7 +230,7 @@ style. LAMMPS will issue a warning it that&#8217;s not the case.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

8
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>bond_style fene/expand command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>bond_style fene/expand command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -147,7 +147,7 @@ bond_coeff 1 30.0 1.5 1.0 1.0 0.5
<p>The <em>fene/expand</em> bond style uses the potential</p> <p>The <em>fene/expand</em> bond style uses the potential</p>
<img alt="_images/bond_fene_expand.jpg" class="align-center" src="_images/bond_fene_expand.jpg" /> <img alt="_images/bond_fene_expand.jpg" class="align-center" src="_images/bond_fene_expand.jpg" />
<p>to define a finite extensible nonlinear elastic (FENE) potential <p>to define a finite extensible nonlinear elastic (FENE) potential
<a class="reference internal" href="#kremer"><span>(Kremer)</span></a>, used for bead-spring polymer models. The first <a class="reference internal" href="special_bonds.html#kremer"><span>(Kremer)</span></a>, used for bead-spring polymer models. The first
term is attractive, the 2nd Lennard-Jones term is repulsive.</p> term is attractive, the 2nd Lennard-Jones term is repulsive.</p>
<p>The <em>fene/expand</em> bond style is similar to <em>fene</em> except that an extra <p>The <em>fene/expand</em> bond style is similar to <em>fene</em> except that an extra
shift factor of delta (positive or negative) is added to <em>r</em> to shift factor of delta (positive or negative) is added to <em>r</em> to
@ -231,7 +231,7 @@ style. LAMMPS will issue a warning it that&#8217;s not the case.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>bond_style harmonic command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>bond_style harmonic command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -220,7 +220,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>bond_style harmonic/shift command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>bond_style harmonic/shift command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -222,7 +222,7 @@ section for more info on packages.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>bond_style harmonic/shift/cut command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>bond_style harmonic/shift/cut command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -223,7 +223,7 @@ section for more info on packages.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>bond_style hybrid command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>bond_style hybrid command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -223,7 +223,7 @@ file, you need to re-specify bond_coeff commands.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>bond_style morse command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>bond_style morse command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -218,7 +218,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>bond_style none command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>bond_style none command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -184,7 +184,7 @@ pairs of bonded atoms were listed in the data file read by the
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>bond_style nonlinear command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>bond_style nonlinear command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -220,7 +220,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>bond_style quartic command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>bond_style quartic command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -252,7 +252,7 @@ dihedral, etc) cannot be used with <em>quartic</em> bonds.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>bond_style command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>bond_style command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -251,7 +251,7 @@ package.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>bond_style table command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>bond_style table command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -290,7 +290,7 @@ MOLECULE package (which it is by default). See the <a class="reference internal
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>boundary command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>boundary command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -248,7 +248,7 @@ of lost atoms.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
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FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>box command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>box command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -212,7 +212,7 @@ error.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>change_box command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>change_box command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -466,7 +466,7 @@ change_box command is issued, so long as an <a class="reference internal" href="
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>clear command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>clear command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -192,7 +192,7 @@ input script variables (<a class="reference internal" href="variable.html"><em>v
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
VERSION:'15 Dec 2015', VERSION:'17 Dec 2015',
COLLAPSE_INDEX:false, COLLAPSE_INDEX:false,
FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>comm_modify command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>comm_modify command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -307,7 +307,7 @@ cutoff = pairwise force cutoff + neighbor skin.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
URL_ROOT:'./', URL_ROOT:'./',
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FILE_SUFFIX:'.html', FILE_SUFFIX:'.html',
HAS_SOURCE: true HAS_SOURCE: true

6
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>comm_style command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>comm_style command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -217,7 +217,7 @@ commands. The decomposition can be changed via the
<script type="text/javascript"> <script type="text/javascript">
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -395,7 +395,7 @@ section of <a class="reference internal" href="Section_commands.html#cmd-5"><spa
<script type="text/javascript"> <script type="text/javascript">
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute ackland/atom command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute ackland/atom command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -218,7 +218,7 @@ integers defined above.</p>
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute angle/local command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute angle/local command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -226,7 +226,7 @@ be in energy <a class="reference internal" href="units.html"><em>units</em></a>.
<script type="text/javascript"> <script type="text/javascript">
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute angmom/chunk command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute angmom/chunk command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -236,7 +236,7 @@ mass-velocity-distance <a class="reference internal" href="units.html"><em>units
<script type="text/javascript"> <script type="text/javascript">
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute basal/atom command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute basal/atom command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -216,7 +216,7 @@ well-defined basal plane.</p>
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute body/local command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute body/local command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -241,7 +241,7 @@ options.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute bond/local command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute bond/local command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -234,7 +234,7 @@ output for <em>eng</em> will be in energy <a class="reference internal" href="un
<script type="text/javascript"> <script type="text/javascript">
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute centro/atom command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute centro/atom command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -263,7 +263,7 @@ of 12.</p>
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute chunk/atom command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute chunk/atom command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -719,7 +719,7 @@ the restarted simulation begins.</p>
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute cluster/atom command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute cluster/atom command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -226,7 +226,7 @@ LAMMPS output options.</p>
<script type="text/javascript"> <script type="text/javascript">
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute cna/atom command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute cna/atom command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -238,7 +238,7 @@ above.</p>
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute com command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute com command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -210,7 +210,7 @@ distance <a class="reference internal" href="units.html"><em>units</em></a>.</p>
<script type="text/javascript"> <script type="text/javascript">
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute com/chunk command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute com/chunk command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -234,7 +234,7 @@ distance <a class="reference internal" href="units.html"><em>units</em></a>.</p>
<script type="text/javascript"> <script type="text/javascript">
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute contact/atom command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute contact/atom command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -203,7 +203,7 @@ above.</p>
<script type="text/javascript"> <script type="text/javascript">
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute coord/atom command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute coord/atom command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -242,7 +242,7 @@ explained above.</p>
<script type="text/javascript"> <script type="text/javascript">
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute damage/atom command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute damage/atom command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -206,7 +206,7 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
<script type="text/javascript"> <script type="text/javascript">
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute dihedral/local command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute dihedral/local command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -219,7 +219,7 @@ options.</p>
<script type="text/javascript"> <script type="text/javascript">
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute dilatation/atom command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute dilatation/atom command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -208,7 +208,7 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
<script type="text/javascript"> <script type="text/javascript">
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute displace/atom command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute displace/atom command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -222,7 +222,7 @@ options.</p>
<script type="text/javascript"> <script type="text/javascript">
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute erotate/asphere command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute erotate/asphere command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -216,7 +216,7 @@ particles.</p>
<script type="text/javascript"> <script type="text/javascript">
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute erotate/rigid command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute erotate/rigid command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -208,7 +208,7 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute erotate/sphere command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute erotate/sphere command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -208,7 +208,7 @@ contribute to the rotational energy.</p>
<script type="text/javascript"> <script type="text/javascript">
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doc/compute_erotate_sphere_atom.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute erotate/sphere/atom command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute erotate/sphere/atom command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -207,7 +207,7 @@ LAMMPS output options.</p>
<script type="text/javascript"> <script type="text/javascript">
var DOCUMENTATION_OPTIONS = { var DOCUMENTATION_OPTIONS = {
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doc/compute_event_displace.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute event/displace command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute event/displace command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -214,7 +214,7 @@ for more info on packages.</p>
<script type="text/javascript"> <script type="text/javascript">
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doc/compute_fep.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute fep command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute fep command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -413,7 +413,7 @@ Liquids, Oxford University Press (1987)</p>
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doc/compute_group_group.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute group/group command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute group/group command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -261,7 +261,7 @@ The <em>ewald</em> and <em>pppm</em> styles do.</p>
<script type="text/javascript"> <script type="text/javascript">
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doc/compute_gyration.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute gyration command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute gyration command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -222,7 +222,7 @@ distance^2 <a class="reference internal" href="units.html"><em>units</em></a> re
<script type="text/javascript"> <script type="text/javascript">
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doc/compute_gyration_chunk.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute gyration/chunk command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute gyration/chunk command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -253,7 +253,7 @@ represented by the formula above.</p>
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doc/compute_heat_flux.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute heat/flux command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute heat/flux command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -336,7 +336,7 @@ print &quot;average conductivity: $k[W/mK] @ $T K, ${ndens} /A^3&quot;
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doc/compute_hexorder_atom.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute hexorder/atom command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute hexorder/atom command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -262,7 +262,7 @@ options.</p>
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6
doc/compute_improper_local.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute improper/local command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute improper/local command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -219,7 +219,7 @@ options.</p>
<script type="text/javascript"> <script type="text/javascript">
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6
doc/compute_inertia_chunk.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute inertia/chunk command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute inertia/chunk command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -235,7 +235,7 @@ mass*distance^2 <a class="reference internal" href="units.html"><em>units</em></
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doc/compute_ke.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute ke command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute ke command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -211,7 +211,7 @@ scalar value will be in energy <a class="reference internal" href="units.html"><
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doc/compute_ke_atom.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
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@ -32,7 +32,7 @@
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<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -200,7 +200,7 @@ LAMMPS output options.</p>
<script type="text/javascript"> <script type="text/javascript">
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doc/compute_ke_atom_eff.html
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@ -8,7 +8,7 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0"> <meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>compute ke/atom/eff command &mdash; LAMMPS 15 Dec 2015 documentation</title> <title>compute ke/atom/eff command &mdash; LAMMPS 17 Dec 2015 documentation</title>
@ -32,7 +32,7 @@
<link rel="top" title="LAMMPS 15 Dec 2015 documentation" href="index.html"/> <link rel="top" title="LAMMPS 17 Dec 2015 documentation" href="index.html"/>
<script src="_static/js/modernizr.min.js"></script> <script src="_static/js/modernizr.min.js"></script>
@ -225,7 +225,7 @@ LAMMPS was built with that package. See the <a class="reference internal" href=
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