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Sylvain Tricot 2025-07-21 17:23:42 +02:00
parent a7c5876bf4
commit 62f7690aed
8 changed files with 1 additions and 71 deletions
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18
msspecbook/Activity10/Activity10.ipynb
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@ -65,24 +65,6 @@
"::::"
]
},
{
"cell_type": "code",
"execution_count": 2,
"id": "9da716db-069f-422b-a5fd-2c2b509eb621",
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"Å\n"
]
}
],
"source": [
"print('\\U0000212B')"
]
},
{
"cell_type": "markdown",
"id": "0a1fabce-c42d-4cb4-9720-bcd21ff0cd09",

24
msspecbook/_build/html/Activity10/Activity10.html
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@ -60,7 +60,6 @@
<script>DOCUMENTATION_OPTIONS.pagename = 'Activity10/Activity10';</script>
<link rel="index" title="Index" href="../genindex.html" />
<link rel="search" title="Search" href="../search.html" />
<link rel="next" title="Activity 11: Spectral radius and convergence" href="../Activity11/Activity11.html" />
<link rel="prev" title="Activity 9: Comparing simulation and experiment with R-factors" href="../Activity09/Activity09.html" />
<meta name="viewport" content="width=device-width, initial-scale=1"/>
<meta name="docsearch:language" content="en"/>
@ -190,8 +189,6 @@
<li class="toctree-l1"><a class="reference internal" href="../Activity08/Activity08.html">Activity 8: Inequivalent emitters and the XPD of a substrate</a></li>
<li class="toctree-l1"><a class="reference internal" href="../Activity09/Activity09.html">Activity 9: Comparing simulation and experiment with R-factors</a></li>
<li class="toctree-l1 current active"><a class="current reference internal" href="#">Activity 10: Parallelization and multi-processing in MsSpec</a></li>
<li class="toctree-l1"><a class="reference internal" href="../Activity11/Activity11.html">Activity 11: Spectral radius and convergence</a></li>
<li class="toctree-l1"><a class="reference internal" href="../backmatter.html">Final word</a></li>
</ul>
</div>
@ -411,18 +408,6 @@ can be changed).</p>
<p>In the paper discussed in <a class="reference internal" href="../Activity09/Activity09.html#rfactor"><span class="std std-ref">Activity 9: Comparing simulation and experiment with R-factors</span></a>, experimental values of the anisotropy suggest an adsorption height between 0.2 and 0.6 Å. Modify the script to add another sweep for variying the adsorption height of the CO molecule.</p>
</div>
</div>
<div class="cell docutils container">
<div class="cell_input docutils container">
<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="nb">print</span><span class="p">(</span><span class="s1">&#39;</span><span class="se">\U0000212B</span><span class="s1">&#39;</span><span class="p">)</span>
</pre></div>
</div>
</div>
<div class="cell_output docutils container">
<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Å
</pre></div>
</div>
</div>
</div>
<div class="toggle docutils container">
<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="linenos">63</span><span class="c1"># 1) Multiprocess calculations </span>
<span class="linenos">64</span><span class="n">theta</span> <span class="o">=</span> <span class="n">Sweep</span><span class="p">(</span><span class="n">key</span><span class="o">=</span><span class="s1">&#39;theta&#39;</span><span class="p">,</span> <span class="n">comments</span><span class="o">=</span><span class="s2">&quot;The molecule tilt angle&quot;</span><span class="p">,</span>
@ -493,15 +478,6 @@ can be changed).</p>
<p class="prev-next-title">Activity 9: Comparing simulation and experiment with R-factors</p>
</div>
</a>
<a class="right-next"
href="../Activity11/Activity11.html"
title="next page">
<div class="prev-next-info">
<p class="prev-next-subtitle">next</p>
<p class="prev-next-title">Activity 11: Spectral radius and convergence</p>
</div>
<i class="fa-solid fa-angle-right"></i>
</a>
</div>
</footer>

18
msspecbook/_build/html/_sources/Activity10/Activity10.ipynb
View File

@ -65,24 +65,6 @@
"::::"
]
},
{
"cell_type": "code",
"execution_count": 2,
"id": "9da716db-069f-422b-a5fd-2c2b509eb621",
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"Å\n"
]
}
],
"source": [
"print('\\U0000212B')"
]
},
{
"cell_type": "markdown",
"id": "0a1fabce-c42d-4cb4-9720-bcd21ff0cd09",

2
msspecbook/_build/html/genindex.html
View File

@ -189,8 +189,6 @@
<li class="toctree-l1"><a class="reference internal" href="Activity08/Activity08.html">Activity 8: Inequivalent emitters and the XPD of a substrate</a></li>
<li class="toctree-l1"><a class="reference internal" href="Activity09/Activity09.html">Activity 9: Comparing simulation and experiment with R-factors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Activity10/Activity10.html">Activity 10: Parallelization and multi-processing in MsSpec</a></li>
<li class="toctree-l1"><a class="reference internal" href="Activity11/Activity11.html">Activity 11: Spectral radius and convergence</a></li>
<li class="toctree-l1"><a class="reference internal" href="backmatter.html">Final word</a></li>
</ul>
</div>

4
msspecbook/_build/html/intro.html
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@ -193,8 +193,6 @@
<li class="toctree-l1"><a class="reference internal" href="Activity08/Activity08.html">Activity 8: Inequivalent emitters and the XPD of a substrate</a></li>
<li class="toctree-l1"><a class="reference internal" href="Activity09/Activity09.html">Activity 9: Comparing simulation and experiment with R-factors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Activity10/Activity10.html">Activity 10: Parallelization and multi-processing in MsSpec</a></li>
<li class="toctree-l1"><a class="reference internal" href="Activity11/Activity11.html">Activity 11: Spectral radius and convergence</a></li>
<li class="toctree-l1"><a class="reference internal" href="backmatter.html">Final word</a></li>
</ul>
</div>
@ -363,8 +361,6 @@ concepts needed to learn how to perform simulation with MsSpec.</p>
<li class="toctree-l1"><a class="reference internal" href="Activity08/Activity08.html">Activity 8: Inequivalent emitters and the XPD of a substrate</a></li>
<li class="toctree-l1"><a class="reference internal" href="Activity09/Activity09.html">Activity 9: Comparing simulation and experiment with R-factors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Activity10/Activity10.html">Activity 10: Parallelization and multi-processing in MsSpec</a></li>
<li class="toctree-l1"><a class="reference internal" href="Activity11/Activity11.html">Activity 11: Spectral radius and convergence</a></li>
<li class="toctree-l1"><a class="reference internal" href="backmatter.html">Final word</a></li>
</ul>
</div>
</section>

2
msspecbook/_build/html/search.html
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@ -191,8 +191,6 @@
<li class="toctree-l1"><a class="reference internal" href="Activity08/Activity08.html">Activity 8: Inequivalent emitters and the XPD of a substrate</a></li>
<li class="toctree-l1"><a class="reference internal" href="Activity09/Activity09.html">Activity 9: Comparing simulation and experiment with R-factors</a></li>
<li class="toctree-l1"><a class="reference internal" href="Activity10/Activity10.html">Activity 10: Parallelization and multi-processing in MsSpec</a></li>
<li class="toctree-l1"><a class="reference internal" href="Activity11/Activity11.html">Activity 11: Spectral radius and convergence</a></li>
<li class="toctree-l1"><a class="reference internal" href="backmatter.html">Final word</a></li>
</ul>
</div>

2
msspecbook/_build/html/searchindex.js
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File diff suppressed because one or more lines are too long

2
msspecbook/_toc.yml
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@ -14,5 +14,3 @@ chapters:
- file: Activity08/Activity08
- file: Activity09/Activity09
- file: Activity10/Activity10
- file: Activity11/Activity11
- file: backmatter