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Alexsp32 committed Jun 12, 2024
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2 changes: 1 addition & 1 deletion .nojekyll
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27 changes: 23 additions & 4 deletions index.html
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<meta name="generator" content="quarto-1.5.43">

<meta name="author" content="Alex Spears">
<title>index</title>
<title>Running nonadiabatic MD in Julia</title>
<meta name="apple-mobile-web-app-capable" content="yes">
<meta name="apple-mobile-web-app-status-bar-style" content="black-translucent">
<meta name="viewport" content="width=device-width, initial-scale=1.0, maximum-scale=1.0, user-scalable=no, minimal-ui">
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<div class="reveal">
<div class="slides">

<section id="TOC">
<section id="title-slide" class="quarto-title-block center">
<h1 class="title">Running nonadiabatic MD in Julia</h1>
<p class="subtitle"><em>A look under the hood of the NQCD packages</em></p>

<div class="quarto-title-authors">
<div class="quarto-title-author">
<div class="quarto-title-author-name">
Alex Spears
</div>
</div>
</div>

<p class="date">06.04.2024</p>
</section><section id="TOC">
<nav role="doc-toc">
<h2 id="toc-title">Table of contents</h2>
<ul>
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</section>
<section id="analysis-methods-for-post-processing" class="slide level2">
<h2>Analysis methods for post-processing</h2>
<p><span style="color:grey">src/structure.jl</span> - Basic functions for atomic structure, e.g.&nbsp;distance across PBC, centre of mass</p>
<p><span style="color:grey">src/Analysis/Analysis.jl</span> - Submodules for analysis type, e.g.&nbsp;functions for diatomic molecules in <code>diatomic.jl</code>.</p>
<p><span style="color:grey">src/structure.jl</span></p>
<ul>
<li>Basic functions for atomic structure, e.g.&nbsp;distance across PBC, centre of mass</li>
</ul>
<p><span style="color:grey">src/Analysis/Analysis.jl</span></p>
<ul>
<li>Submodules for analysis type, e.g.&nbsp;functions for diatomic molecules in <code>diatomic.jl</code>.</li>
</ul>
</section>
<section id="a-new-model" class="slide level2">
<h2>A new model?</h2>
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