Commit a8081d45 authored by Steve Plimpton's avatar Steve Plimpton
Browse files

fix qeq Kokkos bug fix by Stan

parent dd34feb2

doc/html/Section_tools.html

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@@ -204,7 +204,7 @@ own sub-directories with their own Makefiles.</p> 
<li><a class="reference internal" href="#eff"><span class="std std-ref">eff</span></a></li>

<li><a class="reference internal" href="#emacs"><span class="std std-ref">emacs</span></a></li>

<li><a class="reference internal" href="#fep"><span class="std std-ref">fep</span></a></li>

<li><a class="reference internal" href="fix_ipi.html#ipi"><span class="std std-ref">i-pi</span></a></li>

<li><a class="reference internal" href="#ipi"><span class="std std-ref">i-pi</span></a></li>

<li><a class="reference internal" href="#ipp"><span class="std std-ref">ipp</span></a></li>

<li><a class="reference internal" href="#kate"><span class="std std-ref">kate</span></a></li>

<li><a class="reference internal" href="#arc"><span class="std std-ref">lmp2arc</span></a></li>

doc/html/angle_charmm.html

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@@ -137,16 +137,16 @@ 
<h1>angle_style charmm/omp command</h1>

<div class="section" id="syntax">

<h2>Syntax</h2>

<pre class="literal-block">

angle_style charmm

</pre>

<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">angle_style</span> <span class="n">charmm</span>

</pre></div>

</div>

</div>

<div class="section" id="examples">

<h2>Examples</h2>

<pre class="literal-block">

angle_style charmm

angle_coeff 1 300.0 107.0 50.0 3.0

</pre>

<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">angle_style</span> <span class="n">charmm</span>

<span class="n">angle_coeff</span> <span class="mi">1</span> <span class="mf">300.0</span> <span class="mf">107.0</span> <span class="mf">50.0</span> <span class="mf">3.0</span>

</pre></div>

</div>

</div>

<div class="section" id="description">

<h2>Description</h2>

doc/html/angle_class2.html

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@@ -131,18 +131,18 @@ 
<h1>angle_style class2/omp command</h1>

<div class="section" id="syntax">

<h2>Syntax</h2>

<pre class="literal-block">

angle_style class2

</pre>

<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">angle_style</span> <span class="n">class2</span>

</pre></div>

</div>

</div>

<div class="section" id="examples">

<h2>Examples</h2>

<pre class="literal-block">

angle_style class2

angle_coeff * 75.0

angle_coeff 1 bb 10.5872 1.0119 1.5228

angle_coeff * ba 3.6551 24.895 1.0119 1.5228

</pre>

<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">angle_style</span> <span class="n">class2</span>

<span class="n">angle_coeff</span> <span class="o">*</span> <span class="mf">75.0</span>

<span class="n">angle_coeff</span> <span class="mi">1</span> <span class="n">bb</span> <span class="mf">10.5872</span> <span class="mf">1.0119</span> <span class="mf">1.5228</span>

<span class="n">angle_coeff</span> <span class="o">*</span> <span class="n">ba</span> <span class="mf">3.6551</span> <span class="mf">24.895</span> <span class="mf">1.0119</span> <span class="mf">1.5228</span>

</pre></div>

</div>

</div>

<div class="section" id="description">

<h2>Description</h2>

doc/html/angle_cosine.html

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@@ -131,16 +131,16 @@ 
<h1>angle_style cosine/omp command</h1>

<div class="section" id="syntax">

<h2>Syntax</h2>

<pre class="literal-block">

angle_style cosine

</pre>

<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">angle_style</span> <span class="n">cosine</span>

</pre></div>

</div>

</div>

<div class="section" id="examples">

<h2>Examples</h2>

<pre class="literal-block">

angle_style cosine

angle_coeff * 75.0

</pre>

<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">angle_style</span> <span class="n">cosine</span>

<span class="n">angle_coeff</span> <span class="o">*</span> <span class="mf">75.0</span>

</pre></div>

</div>

</div>

<div class="section" id="description">

<h2>Description</h2>

doc/html/angle_cosine_delta.html

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@@ -131,16 +131,16 @@ 
<h1>angle_style cosine/delta/omp command</h1>

<div class="section" id="syntax">

<h2>Syntax</h2>

<pre class="literal-block">

angle_style cosine/delta

</pre>

<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">angle_style</span> <span class="n">cosine</span><span class="o">/</span><span class="n">delta</span>

</pre></div>

</div>

</div>

<div class="section" id="examples">

<h2>Examples</h2>

<pre class="literal-block">

angle_style cosine/delta

angle_coeff 2*4 75.0 100.0

</pre>

<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">angle_style</span> <span class="n">cosine</span><span class="o">/</span><span class="n">delta</span>

<span class="n">angle_coeff</span> <span class="mi">2</span><span class="o">*</span><span class="mi">4</span> <span class="mf">75.0</span> <span class="mf">100.0</span>

</pre></div>

</div>

</div>

<div class="section" id="description">

<h2>Description</h2>

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