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3 changes: 3 additions & 0 deletions manual/develop/en/html/_sources/cif2x/about/index.rst.txt
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Release history
----------------------------------------------------------------

ver.1.1.0
Released on 2024/09/14

ver.1.0.1
Released on 2024/03/31

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4 changes: 3 additions & 1 deletion manual/develop/en/html/cif2x/about/index.html
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<h2><span class="section-number">1.4. </span>Release history<a class="headerlink" href="#release-history" title="Link to this heading"></a></h2>
<blockquote>
<div><dl class="simple">
<dt>ver.1.1.0</dt><dd><p>Released on 2024/09/14</p>
</dd>
<dt>ver.1.0.1</dt><dd><p>Released on 2024/03/31</p>
</dd>
<dt>ver.1.0.0</dt><dd><p>Released on 2024/03/19</p>
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<li class="toctree-l2"><a class="reference internal" href="../command/index.html">4. Command reference</a></li>
<li class="toctree-l2"><a class="reference internal" href="../filespec/index.html">5. File format</a></li>
<li class="toctree-l2"><a class="reference internal" href="../appendix/index.html">6. Extension guide</a></li>
<li class="toctree-l2"><a class="reference internal" href="../../getcif/index.html">7. A tool to retrieve crystallographic data from databases (getcif)</a></li>
<li class="toctree-l2"><a class="reference internal" href="../../getcif/index.html">A tool to retrieve crystallographic data from databases (getcif)</a></li>
</ul>
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6 changes: 3 additions & 3 deletions manual/develop/en/html/cif2x/appendix/index.html
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<script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
<link rel="index" title="Index" href="../../genindex.html" />
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<li class="toctree-l2"><a class="reference internal" href="../command/index.html">4. Command reference</a></li>
<li class="toctree-l2"><a class="reference internal" href="../filespec/index.html">5. File format</a></li>
<li class="toctree-l2 current"><a class="current reference internal" href="#">6. Extension guide</a></li>
<li class="toctree-l2"><a class="reference internal" href="../../getcif/index.html">7. A tool to retrieve crystallographic data from databases (getcif)</a></li>
<li class="toctree-l2"><a class="reference internal" href="../../getcif/index.html">A tool to retrieve crystallographic data from databases (getcif)</a></li>
</ul>
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Expand All @@ -105,7 +105,7 @@ <h3>Related Topics</h3>
<li><a href="../../index.html">Documentation overview</a><ul>
<li><a href="../index.html">Input file generator for first-principles calculations (cif2x)</a><ul>
<li>Previous: <a href="../filespec/index.html" title="previous chapter"><span class="section-number">5. </span>File format</a></li>
<li>Next: <a href="../../getcif/index.html" title="next chapter"><span class="section-number">7. </span>A tool to retrieve crystallographic data from databases (getcif)</a></li>
<li>Next: <a href="../../getcif/index.html" title="next chapter">A tool to retrieve crystallographic data from databases (getcif)</a></li>
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</ul></li>
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2 changes: 1 addition & 1 deletion manual/develop/en/html/cif2x/basic-usage.html
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Expand Up @@ -179,7 +179,7 @@ <h3>Navigation</h3>
<li class="toctree-l2"><a class="reference internal" href="command/index.html">4. Command reference</a></li>
<li class="toctree-l2"><a class="reference internal" href="filespec/index.html">5. File format</a></li>
<li class="toctree-l2"><a class="reference internal" href="appendix/index.html">6. Extension guide</a></li>
<li class="toctree-l2"><a class="reference internal" href="../getcif/index.html">7. A tool to retrieve crystallographic data from databases (getcif)</a></li>
<li class="toctree-l2"><a class="reference internal" href="../getcif/index.html">A tool to retrieve crystallographic data from databases (getcif)</a></li>
</ul>
</li>
</ul>
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2 changes: 1 addition & 1 deletion manual/develop/en/html/cif2x/command/index.html
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Expand Up @@ -110,7 +110,7 @@ <h3>Navigation</h3>
<li class="toctree-l2 current"><a class="current reference internal" href="#">4. Command reference</a></li>
<li class="toctree-l2"><a class="reference internal" href="../filespec/index.html">5. File format</a></li>
<li class="toctree-l2"><a class="reference internal" href="../appendix/index.html">6. Extension guide</a></li>
<li class="toctree-l2"><a class="reference internal" href="../../getcif/index.html">7. A tool to retrieve crystallographic data from databases (getcif)</a></li>
<li class="toctree-l2"><a class="reference internal" href="../../getcif/index.html">A tool to retrieve crystallographic data from databases (getcif)</a></li>
</ul>
</li>
</ul>
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2 changes: 1 addition & 1 deletion manual/develop/en/html/cif2x/filespec/index.html
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Expand Up @@ -338,7 +338,7 @@ <h3>Navigation</h3>
<li class="toctree-l2"><a class="reference internal" href="../command/index.html">4. Command reference</a></li>
<li class="toctree-l2 current"><a class="current reference internal" href="#">5. File format</a></li>
<li class="toctree-l2"><a class="reference internal" href="../appendix/index.html">6. Extension guide</a></li>
<li class="toctree-l2"><a class="reference internal" href="../../getcif/index.html">7. A tool to retrieve crystallographic data from databases (getcif)</a></li>
<li class="toctree-l2"><a class="reference internal" href="../../getcif/index.html">A tool to retrieve crystallographic data from databases (getcif)</a></li>
</ul>
</li>
</ul>
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14 changes: 7 additions & 7 deletions manual/develop/en/html/cif2x/index.html
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Expand Up @@ -69,12 +69,12 @@ <h1>Input file generator for first-principles calculations (cif2x)<a class="head
<li class="toctree-l2"><a class="reference internal" href="appendix/index.html#adding-modes-of-quantum-espresso">6.1. Adding modes of Quantum ESPRESSO</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="../getcif/index.html">7. A tool to retrieve crystallographic data from databases (getcif)</a><ul>
<li class="toctree-l2"><a class="reference internal" href="../getcif/about/index.html">7.1. Introduction</a></li>
<li class="toctree-l2"><a class="reference internal" href="../getcif/tutorial/index.html">7.2. Tutorial</a></li>
<li class="toctree-l2"><a class="reference internal" href="../getcif/command/index.html">7.3. Command reference</a></li>
<li class="toctree-l2"><a class="reference internal" href="../getcif/filespec/index.html">7.4. File format</a></li>
<li class="toctree-l2"><a class="reference internal" href="../getcif/appendix/index.html">7.5. Parameter List</a></li>
<li class="toctree-l1"><a class="reference internal" href="../getcif/index.html">A tool to retrieve crystallographic data from databases (getcif)</a><ul>
<li class="toctree-l2"><a class="reference internal" href="../getcif/about/index.html">1. Introduction</a></li>
<li class="toctree-l2"><a class="reference internal" href="../getcif/tutorial/index.html">2. Tutorial</a></li>
<li class="toctree-l2"><a class="reference internal" href="../getcif/command/index.html">3. Command reference</a></li>
<li class="toctree-l2"><a class="reference internal" href="../getcif/filespec/index.html">4. File format</a></li>
<li class="toctree-l2"><a class="reference internal" href="../getcif/appendix/index.html">5. Parameter List</a></li>
</ul>
</li>
</ul>
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<li class="toctree-l2"><a class="reference internal" href="command/index.html">4. Command reference</a></li>
<li class="toctree-l2"><a class="reference internal" href="filespec/index.html">5. File format</a></li>
<li class="toctree-l2"><a class="reference internal" href="appendix/index.html">6. Extension guide</a></li>
<li class="toctree-l2"><a class="reference internal" href="../getcif/index.html">7. A tool to retrieve crystallographic data from databases (getcif)</a></li>
<li class="toctree-l2"><a class="reference internal" href="../getcif/index.html">A tool to retrieve crystallographic data from databases (getcif)</a></li>
</ul>
</li>
</ul>
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2 changes: 1 addition & 1 deletion manual/develop/en/html/cif2x/tutorial/index.html
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Expand Up @@ -160,7 +160,7 @@ <h3>Navigation</h3>
<li class="toctree-l2"><a class="reference internal" href="../command/index.html">4. Command reference</a></li>
<li class="toctree-l2"><a class="reference internal" href="../filespec/index.html">5. File format</a></li>
<li class="toctree-l2"><a class="reference internal" href="../appendix/index.html">6. Extension guide</a></li>
<li class="toctree-l2"><a class="reference internal" href="../../getcif/index.html">7. A tool to retrieve crystallographic data from databases (getcif)</a></li>
<li class="toctree-l2"><a class="reference internal" href="../../getcif/index.html">A tool to retrieve crystallographic data from databases (getcif)</a></li>
</ul>
</li>
</ul>
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16 changes: 8 additions & 8 deletions manual/develop/en/html/getcif/about/index.html
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<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />

<title>7.1. Introduction &#8212; cif2x Users Guide 1.1.0 documentation</title>
<title>1. Introduction &#8212; cif2x Users Guide 1.1.0 documentation</title>
<link rel="stylesheet" type="text/css" href="../../_static/pygments.css?v=fa44fd50" />
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<div class="body" role="main">

<section id="introduction">
<h1><span class="section-number">7.1. </span>Introduction<a class="headerlink" href="#introduction" title="Link to this heading"></a></h1>
<h1><span class="section-number">1. </span>Introduction<a class="headerlink" href="#introduction" title="Link to this heading"></a></h1>
<p><code class="docutils literal notranslate"><span class="pre">getcif</span></code> is a tool to retrieve crystallographic information and other properties of materials from databases. The latest version of getcif provides access to Materials Project database. Users can search database and obtain information by specifying symmetry, composition, or physical properties of materials.</p>
</section>

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<li class="toctree-l2"><a class="reference internal" href="../../cif2x/command/index.html">4. Command reference</a></li>
<li class="toctree-l2"><a class="reference internal" href="../../cif2x/filespec/index.html">5. File format</a></li>
<li class="toctree-l2"><a class="reference internal" href="../../cif2x/appendix/index.html">6. Extension guide</a></li>
<li class="toctree-l2 current"><a class="reference internal" href="../index.html">7. A tool to retrieve crystallographic data from databases (getcif)</a></li>
<li class="toctree-l2 current"><a class="reference internal" href="../index.html">A tool to retrieve crystallographic data from databases (getcif)</a></li>
</ul>
</li>
</ul>
Expand All @@ -73,9 +73,9 @@ <h3>Related Topics</h3>
<ul>
<li><a href="../../index.html">Documentation overview</a><ul>
<li><a href="../../cif2x/index.html">Input file generator for first-principles calculations (cif2x)</a><ul>
<li><a href="../index.html"><span class="section-number">7. </span>A tool to retrieve crystallographic data from databases (getcif)</a><ul>
<li>Previous: <a href="../index.html" title="previous chapter"><span class="section-number">7. </span>A tool to retrieve crystallographic data from databases (getcif)</a></li>
<li>Next: <a href="../tutorial/index.html" title="next chapter"><span class="section-number">7.2. </span>Tutorial</a></li>
<li><a href="../index.html">A tool to retrieve crystallographic data from databases (getcif)</a><ul>
<li>Previous: <a href="../index.html" title="previous chapter">A tool to retrieve crystallographic data from databases (getcif)</a></li>
<li>Next: <a href="../tutorial/index.html" title="next chapter"><span class="section-number">2. </span>Tutorial</a></li>
</ul></li>
</ul></li>
</ul></li>
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18 changes: 9 additions & 9 deletions manual/develop/en/html/getcif/appendix/index.html
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<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />

<title>7.5. Parameter List &#8212; cif2x Users Guide 1.1.0 documentation</title>
<title>5. Parameter List &#8212; cif2x Users Guide 1.1.0 documentation</title>
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<script async="async" src="https://cdn.jsdelivr.net/npm/mathjax@3/es5/tex-mml-chtml.js"></script>
<link rel="index" title="Index" href="../../genindex.html" />
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<div class="body" role="main">

<section id="parameter-list">
<h1><span class="section-number">7.5. </span>Parameter List<a class="headerlink" href="#parameter-list" title="Link to this heading"></a></h1>
<h1><span class="section-number">5. </span>Parameter List<a class="headerlink" href="#parameter-list" title="Link to this heading"></a></h1>
<section id="search-conditions-properties">
<h2>Search conditions (properties)<a class="headerlink" href="#search-conditions-properties" title="Link to this heading"></a></h2>
<h2><span class="section-number">5.1. </span>Search conditions (properties)<a class="headerlink" href="#search-conditions-properties" title="Link to this heading"></a></h2>
<p>Table <a class="reference internal" href="#getcif-cond-table"><span class="std std-ref">Search criteria</span></a> summarizes condition terms available in the properties section.</p>
<p><code class="docutils literal notranslate"><span class="pre">getcif</span></code> uses the <code class="docutils literal notranslate"><span class="pre">mp-api</span></code> library provided by Materials Project as a client for accessing the database via Materials Project API. The condition terms correspond to the parameters for the <code class="docutils literal notranslate"><span class="pre">materials.summary.search</span></code> method of MPRester class in <code class="docutils literal notranslate"><span class="pre">mp-api</span></code>. (The content of the table is taken and reformatted from the comments of the source file in <code class="docutils literal notranslate"><span class="pre">mpi-api</span></code>.)</p>
<p>The types of the parameter values denote as follows:</p>
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</dl>
</div></blockquote>
<span id="getcif-cond-table"></span><table class="docutils align-default" id="id1">
<caption><span class="caption-number">Table 7.1 </span><span class="caption-text">Search criteria</span><a class="headerlink" href="#id1" title="Link to this table"></a></caption>
<caption><span class="caption-number">Table 5.1 </span><span class="caption-text">Search criteria</span><a class="headerlink" href="#id1" title="Link to this table"></a></caption>
<colgroup>
<col style="width: 27.3%" />
<col style="width: 18.2%" />
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</table>
</section>
<section id="data-to-retrive-fields">
<h2>Data to retrive (fields)<a class="headerlink" href="#data-to-retrive-fields" title="Link to this heading"></a></h2>
<h2><span class="section-number">5.2. </span>Data to retrive (fields)<a class="headerlink" href="#data-to-retrive-fields" title="Link to this heading"></a></h2>
<p>The items available for the <code class="docutils literal notranslate"><span class="pre">fields</span></code> section for retrieving from the database are listed below.</p>
<div class="highlight-text notranslate"><div class="highlight"><pre><span></span>band_gap
bandstructure
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<li class="toctree-l2"><a class="reference internal" href="../../cif2x/command/index.html">4. Command reference</a></li>
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<li class="toctree-l2"><a class="reference internal" href="../../cif2x/appendix/index.html">6. Extension guide</a></li>
<li class="toctree-l2 current"><a class="reference internal" href="../index.html">7. A tool to retrieve crystallographic data from databases (getcif)</a></li>
<li class="toctree-l2 current"><a class="reference internal" href="../index.html">A tool to retrieve crystallographic data from databases (getcif)</a></li>
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Expand All @@ -418,8 +418,8 @@ <h3>Related Topics</h3>
<ul>
<li><a href="../../index.html">Documentation overview</a><ul>
<li><a href="../../cif2x/index.html">Input file generator for first-principles calculations (cif2x)</a><ul>
<li><a href="../index.html"><span class="section-number">7. </span>A tool to retrieve crystallographic data from databases (getcif)</a><ul>
<li>Previous: <a href="../filespec/index.html" title="previous chapter"><span class="section-number">7.4. </span>File format</a></li>
<li><a href="../index.html">A tool to retrieve crystallographic data from databases (getcif)</a><ul>
<li>Previous: <a href="../filespec/index.html" title="previous chapter"><span class="section-number">4. </span>File format</a></li>
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