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diff --git a/.buildinfo b/.buildinfo
@@ -1,4 +1,4 @@
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 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
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+config: d013c660063c4b1a71af3c767959351f
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diff --git a/.doctrees/Tutorials/CCP5-June-2021.doctree b/.doctrees/Tutorials/CCP5-June-2021.doctree
diff --git a/.doctrees/environment.pickle b/.doctrees/environment.pickle
diff --git a/Tutorials/CCP5-June-2021.html b/Tutorials/CCP5-June-2021.html
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   <meta charset="utf-8" /><meta name="generator" content="Docutils 0.19: https://docutils.sourceforge.io/" />
 
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-  <title>Motivation &mdash; quippy 33cdd69 documentation</title>
+  <title>Motivation &mdash; quippy 467ba0f documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css" />
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-                33cdd69
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@@ -133,13 +133,13 @@
           <div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
            <div itemprop="articleBody">
 
-  <center><p><img alt="a9cd27d1c28c47cfa372d52c7aa57469" src="../_images/warwick-logo.png" /></p>
+  <center><p><img alt="0dd0f85653524dc289a2d4d41a16c0e8" src="../_images/warwick-logo.png" /></p>
 <h1><p>Quantum Mechanics and Interatomic Potentials – the QUIP code</p>
 </h1><h3><p>James Kermode</p>
 </h3><p>Warwick Centre for Predictive Modelling / School of Engineering University of Warwick</p>
 <h4><p>CCP5++ Software Seminar - 17th June 2021</p>
-</h4><table bgcolor="#ffffff"><tr><td><p><img alt="755ed16bf78c4570b549ecf2d2c6f664" class="no-scaled-link" src="../_images/WCPM_logo_text.png" style="width: 100%;" /></p>
-</td><td><p><img alt="2834814ebd7e41ce993a6fddab887926" class="no-scaled-link" src="../_images/hybrid.png" style="width: 100%;" /></p>
+</h4><table bgcolor="#ffffff"><tr><td><p><img alt="13e9864be27c4148b5eb944d8ea2fe6c" class="no-scaled-link" src="../_images/WCPM_logo_text.png" style="width: 100%;" /></p>
+</td><td><p><img alt="79483d31db2247a98e25d306142bc3a9" class="no-scaled-link" src="../_images/hybrid.png" style="width: 100%;" /></p>
 </td></tr></table></center><p><em>These slides will subsequently be made available at https://libatoms.github.io/QUIP/Tutorials</em></p>
 <div class="nbinput nblast docutils container">
 <div class="prompt highlight-none notranslate"><div class="highlight"><pre><span></span>[ ]:
@@ -190,7 +190,7 @@ <h1>Motivation<a class="headerlink" href="#Motivation" title="Permalink to this
 </ul>
 </li>
 </ul>
-<center><p><img alt="f9e382ed051d4d34adc98715d9a0cf80" class="no-scaled-link" src="../_images/multiscale.png" style="width: 80%;" /></p>
+<center><p><img alt="ef8f033caea34ee59601a21a62fca3c6" class="no-scaled-link" src="../_images/multiscale.png" style="width: 80%;" /></p>
 </center><p><em>Image credit: Gábor Csányi</em></p>
 </section>
 <section id="The-QUIP-code">
@@ -408,7 +408,7 @@ <h1>Using QUIP with Python and the Atomic Simulation Environment<a class="header
 <li><p><a class="reference external" href="https://jupyter.org/">jupyter</a>/IPython notebooks encourage reproducible research</p></li>
 <li><p><a class="reference external" href="https://jupyter.org/">anaconda</a> distribution and package management system</p></li>
 </ul>
-<center><p><img alt="21e04e1de74e43349e5acdeba61e5e0e" class="no-scaled-link" src="../_images/scipy-stack.png" style="width: 70%;" /></p>
+<center><p><img alt="14ec4b7004d6476891d0384c635f50db" class="no-scaled-link" src="../_images/scipy-stack.png" style="width: 70%;" /></p>
 </center><p><a class="reference external" href="http://www.scipy.org">http://www.scipy.org</a></p>
 </section>
 <section id="Atomic-Simulation-Environment-(ASE)">
@@ -418,7 +418,7 @@ <h1>Atomic Simulation Environment (ASE)<a class="headerlink" href="#Atomic-Simul
 <li><p>Wide range of calculators, very similar data model for Atoms objects to QUIP</p></li>
 <li><p>Can use many codes as drop-in replacements:</p></li>
 </ul>
-<center><p><img alt="b8e20e5c864a4cb3be83604fb422ceaa" class="no-scaled-link" src="../_images/ase-calculators.png" style="width: 60%;" /></p>
+<center><p><img alt="4b9c93a588604e5389adc7c9b96f006f" class="no-scaled-link" src="../_images/ase-calculators.png" style="width: 60%;" /></p>
 </center><p><a class="reference external" href="https://wiki.fysik.dtu.dk/ase/">https://wiki.fysik.dtu.dk/ase/</a></p>
 </section>
 <section id="quippy-demo:-analysing-GAP-models-with-predictive-variance">

diff --git a/Tutorials/adaptive-qmmm-references.html b/Tutorials/adaptive-qmmm-references.html
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-  <title>References &mdash; quippy 33cdd69 documentation</title>
+  <title>References &mdash; quippy 467ba0f documentation</title>
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diff --git a/Tutorials/adaptive-qmmm-solutions.html b/Tutorials/adaptive-qmmm-solutions.html
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-  <title>Solutions &mdash; quippy 33cdd69 documentation</title>
+  <title>Solutions &mdash; quippy 467ba0f documentation</title>
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diff --git a/Tutorials/adaptive-qmmm-step0.html b/Tutorials/adaptive-qmmm-step0.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="generator" content="Docutils 0.19: https://docutils.sourceforge.io/" />
 
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-  <title>Introduction &mdash; quippy 33cdd69 documentation</title>
+  <title>Introduction &mdash; quippy 467ba0f documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css" />
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diff --git a/Tutorials/adaptive-qmmm-step1.html b/Tutorials/adaptive-qmmm-step1.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="generator" content="Docutils 0.19: https://docutils.sourceforge.io/" />
 
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-  <title>Step 1: Setup of the Silicon model system &mdash; quippy 33cdd69 documentation</title>
+  <title>Step 1: Setup of the Silicon model system &mdash; quippy 467ba0f documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css" />
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diff --git a/Tutorials/adaptive-qmmm-step2.html b/Tutorials/adaptive-qmmm-step2.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="generator" content="Docutils 0.19: https://docutils.sourceforge.io/" />
 
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-  <title>Step 2: Classical MD simulation of fracture in Si &mdash; quippy 33cdd69 documentation</title>
+  <title>Step 2: Classical MD simulation of fracture in Si &mdash; quippy 467ba0f documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css" />
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@@ -521,7 +521,7 @@ <h3>Milestone 2.2<a class="headerlink" href="#milestone-2-2" title="Permalink to
 obeys the expected <span class="math notranslate nohighlight">\(1/\sqrt{r}\)</span> divergence near the crack tip, and tends
 to a constant value ahead of the crack, due to the thin strip loading. <em>Hint:</em>
 use a mask to select the relevant atoms, as we did when fixing the edge atoms
-above. You can use the matplotlib <a class="reference external" href="https://matplotlib.org/stable/api/_as_gen/matplotlib.pyplot.plot.html#matplotlib.pyplot.plot" title="(in Matplotlib v3.8.2)"><code class="xref py py-func docutils literal notranslate"><span class="pre">plot()</span></code></a> function to
+above. You can use the matplotlib <a class="reference external" href="https://matplotlib.org/stable/api/_as_gen/matplotlib.pyplot.plot.html#matplotlib.pyplot.plot" title="(in Matplotlib v3.8.3)"><code class="xref py py-func docutils literal notranslate"><span class="pre">plot()</span></code></a> function to
 produce a plot.</p>
 </section>
 <section id="time-averaged-stress-field">
@@ -647,7 +647,7 @@ <h3>Milestone 2.2<a class="headerlink" href="#milestone-2-2" title="Permalink to
 <p>The following plot shows the evolution of <cite>G</cite> (blue) and of the
 position of the crack (red; stored as <cite>crack_pos_x</cite>). Note that a
 second vertical axis can be produced with the
-<a class="reference external" href="https://matplotlib.org/stable/api/_as_gen/matplotlib.pyplot.twinx.html#matplotlib.pyplot.twinx" title="(in Matplotlib v3.8.2)"><code class="xref py py-func docutils literal notranslate"><span class="pre">twinx()</span></code></a> function.</p>
+<a class="reference external" href="https://matplotlib.org/stable/api/_as_gen/matplotlib.pyplot.twinx.html#matplotlib.pyplot.twinx" title="(in Matplotlib v3.8.3)"><code class="xref py py-func docutils literal notranslate"><span class="pre">twinx()</span></code></a> function.</p>
 <a class="reference internal image-reference" href="../_images/energy-release-rate-crack-position.png"><img alt="../_images/energy-release-rate-crack-position.png" class="align-center" src="../_images/energy-release-rate-crack-position.png" style="width: 600px;" /></a>
 <p>In this case the crack actually arrests for a while at around <span class="math notranslate nohighlight">\(t
 = 6\)</span> ps. This is another characteristic feature of non-brittle

diff --git a/Tutorials/adaptive-qmmm-step3.html b/Tutorials/adaptive-qmmm-step3.html
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-  <title>Step 3: LOTF hybrid MD simulation of fracture in Si &mdash; quippy 33cdd69 documentation</title>
+  <title>Step 3: LOTF hybrid MD simulation of fracture in Si &mdash; quippy 467ba0f documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css" />
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diff --git a/Tutorials/adaptive-qmmm-theory.html b/Tutorials/adaptive-qmmm-theory.html
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-  <title>Theoretical background &mdash; quippy 33cdd69 documentation</title>
+  <title>Theoretical background &mdash; quippy 467ba0f documentation</title>
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diff --git a/Tutorials/adaptive-qmmm.html b/Tutorials/adaptive-qmmm.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="generator" content="Docutils 0.19: https://docutils.sourceforge.io/" />
 
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-  <title>Adaptive QM/MM MD of Fracture in Silicon &mdash; quippy 33cdd69 documentation</title>
+  <title>Adaptive QM/MM MD of Fracture in Silicon &mdash; quippy 467ba0f documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css" />
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+                467ba0f
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diff --git a/Tutorials/adglass.html b/Tutorials/adglass.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="generator" content="Docutils 0.19: https://docutils.sourceforge.io/" />
 
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-  <title>Molecular Dynamics Simulation of Fracture in Quartz &mdash; quippy 33cdd69 documentation</title>
+  <title>Molecular Dynamics Simulation of Fracture in Quartz &mdash; quippy 467ba0f documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css" />
       <link rel="stylesheet" type="text/css" href="../_static/css/theme.css" />
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@@ -174,14 +174,14 @@ <h2>Starting a fracture simulation<a class="headerlink" href="#starting-a-fractu
 refers to the directory where the the QUIP source code is located.</p>
 </div>
 <p>To make the command <cite>crack</cite> availale, copy the executable
-<code class="docutils literal notranslate"><span class="pre">${QUIP_ROOT}/build/${QUIP_ARCH}</span></code> to a directory on your <span class="target" id="index-2"></span><a class="reference external" href="https://matplotlib.org/stable/users/installing/environment_variables_faq.html#envvar-PATH" title="(in Matplotlib v3.8.2)"><code class="xref std std-envvar docutils literal notranslate"><span class="pre">PATH</span></code></a>,
+<code class="docutils literal notranslate"><span class="pre">${QUIP_ROOT}/build/${QUIP_ARCH}</span></code> to a directory on your <span class="target" id="index-2"></span><a class="reference external" href="https://matplotlib.org/stable/users/installing/environment_variables_faq.html#envvar-PATH" title="(in Matplotlib v3.8.3)"><code class="xref std std-envvar docutils literal notranslate"><span class="pre">PATH</span></code></a>,
 e.g. <code class="docutils literal notranslate"><span class="pre">~/bin</span></code>.</p>
 <p>Similarly, to compile <cite>eval</cite> run:</p>
 <div class="highlight-default notranslate"><div class="highlight"><pre><span></span>$ make QUIP_Programs/eval
 </pre></div>
 </div>
 <p>It is highly recommended to change the name when copying the <cite>eval</cite> prgram to a
-directory on <span class="target" id="index-3"></span><a class="reference external" href="https://matplotlib.org/stable/users/installing/environment_variables_faq.html#envvar-PATH" title="(in Matplotlib v3.8.2)"><code class="xref std std-envvar docutils literal notranslate"><span class="pre">PATH</span></code></a> to avoid a clash with the builtin <code class="docutils literal notranslate"><span class="pre">eval</span></code> command.</p>
+directory on <span class="target" id="index-3"></span><a class="reference external" href="https://matplotlib.org/stable/users/installing/environment_variables_faq.html#envvar-PATH" title="(in Matplotlib v3.8.3)"><code class="xref std std-envvar docutils literal notranslate"><span class="pre">PATH</span></code></a> to avoid a clash with the builtin <code class="docutils literal notranslate"><span class="pre">eval</span></code> command.</p>
 <p>Start the simulation by running the <cite>crack</cite> program, which takes
 the “stem” of the input filenames as its only argument:</p>
 <div class="highlight-default notranslate"><div class="highlight"><pre><span></span>$ crack quartz_crack &gt; quartz_crack.out &amp;

diff --git a/Tutorials/committee_modelling.html b/Tutorials/committee_modelling.html
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-  <title>Committee Modelling using GAP potentials &mdash; quippy 33cdd69 documentation</title>
+  <title>Committee Modelling using GAP potentials &mdash; quippy 467ba0f documentation</title>
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diff --git a/Tutorials/index.html b/Tutorials/index.html
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+  <title>Tutorials &mdash; quippy 467ba0f documentation</title>
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