mirror of https://github.com/phonopy/phono3py.git
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.doctrees | ||
_images | ||
_sources | ||
_static | ||
.buildinfo | ||
.nojekyll | ||
README.html | ||
auxiliary-tools.html | ||
changelog.html | ||
citation.html | ||
command-options.html | ||
crystal.html | ||
cutoff-pair.html | ||
direct-solution.html | ||
examples.html | ||
external-tools.html | ||
genindex.html | ||
grid.html | ||
hdf5_howto.html | ||
index.html | ||
input-output-files.html | ||
install.html | ||
interfaces.html | ||
objects.inv | ||
phono3py-api.html | ||
phono3py-load.html | ||
pypolymlp.html | ||
qe.html | ||
random-displacements.html | ||
reference.html | ||
search.html | ||
searchindex.js | ||
turbomole.html | ||
vasp.html | ||
wigner-solution.html | ||
workflow.html | ||
workload-distribution.html |
README.html
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</button> </div></div> </div> </div> </div> <div id="jb-print-docs-body" class="onlyprint"> <h1>How to write phono3py documentation</h1> <!-- Table of contents --> <div id="print-main-content"> <div id="jb-print-toc"> <div> <h2> Contents </h2> </div> <nav aria-label="Page"> <ul class="visible nav section-nav flex-column"> <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#how-to-compile">How to compile</a></li> <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#source-files">Source files</a></li> <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#how-to-publish">How to publish</a></li> </ul> </nav> </div> </div> </div> <div id="searchbox"></div> <article class="bd-article"> <section class="tex2jax_ignore mathjax_ignore" id="how-to-write-phono3py-documentation"> <h1>How to write phono3py documentation<a class="headerlink" href="#how-to-write-phono3py-documentation" title="Link to this heading">#</a></h1> <p>This directory contains python-sphinx documentation source.</p> <section id="how-to-compile"> <h2>How to compile<a class="headerlink" href="#how-to-compile" title="Link to this heading">#</a></h2> <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>make<span class="w"> </span>html </pre></div> </div> </section> <section id="source-files"> <h2>Source files<a class="headerlink" href="#source-files" title="Link to this heading">#</a></h2> <ul class="simple"> <li><p><code class="docutils literal notranslate"><span class="pre">conf.py</span></code> contains the sphinx setting configuration.</p></li> <li><p><code class="docutils literal notranslate"><span class="pre">*.rst</span></code> are the usual sphinx documentation source and the filenames without <code class="docutils literal notranslate"><span class="pre">.rst</span></code> are the keys to link from toctree mainly in <code class="docutils literal notranslate"><span class="pre">index.rst</span></code>.</p></li> </ul> </section> <section id="how-to-publish"> <h2>How to publish<a class="headerlink" href="#how-to-publish" title="Link to this heading">#</a></h2> <p>Web page files are copied to <code class="docutils literal notranslate"><span class="pre">gh-pages</span></code> branch. At the phono3py github top directory,</p> <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>git<span class="w"> </span>checkout<span class="w"> </span>gh-pages rm<span class="w"> </span>-r<span class="w"> </span>.buildinfo<span class="w"> </span>.doctrees<span class="w"> </span>* </pre></div> </div> <p>From the directory the sphinx doc is complied,</p> <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>rsync<span class="w"> </span>-avh<span class="w"> </span>_build/<span class="w"> </span><phono3py-repository-directory>/ </pre></div> </div> <p>Again, at the phono3py github top directory,</p> <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>git<span class="w"> </span>add<span class="w"> </span>. git<span class="w"> </span>commit<span class="w"> </span>-a<span class="w"> </span>-m<span class="w"> </span><span class="s2">"Update documentation ..."</span> git<span class="w"> </span>push </pre></div> </div> </section> </section> </article> <footer class="prev-next-footer d-print-none"> <div class="prev-next-area"> </div> </footer> </div> <div class="bd-sidebar-secondary bd-toc"><div class="sidebar-secondary-items sidebar-secondary__inner"> <div class="sidebar-secondary-item"> <div class="page-toc tocsection onthispage"> <i class="fa-solid fa-list"></i> Contents </div> <nav class="bd-toc-nav page-toc"> <ul class="visible nav section-nav flex-column"> <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#how-to-compile">How to compile</a></li> <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#source-files">Source files</a></li> <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#how-to-publish">How to publish</a></li> </ul> </nav></div> </div></div> </div> <footer class="bd-footer-content"> <div class="bd-footer-content__inner container"> <div class="footer-item"> <p class="component-author"> By Author name not set </p> </div> <div class="footer-item"> <p class="copyright"> © Copyright 2015, Atsushi Togo. <br/> </p> </div> <div class="footer-item"> </div> <div class="footer-item"> </div> </div> </footer> </main> </div> </div> <!-- Scripts loaded after <body> so the DOM is not blocked --> <script src="_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script> <script src="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script> <footer class="bd-footer"> </footer> </body> </html>