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‎.buildinfo‎

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# Sphinx build info version 1
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# This file records the configuration used when building these files. When it is not found, a full rebuild will be done.
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config: aaee112055493c2dc3777711da592471
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config: 95fd6965997ea328280076cfc0ab98b1
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tags: 645f666f9bcd5a90fca523b33c5a78b7

‎_sources/getting-started.rst.txt‎

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.. code-block:: bash
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diffpy.app runmacro <macro_file.dp-in>
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diffpy-app runmacro <macro_file.dp-in>
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To follow the example,
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.. code-block:: bash
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diffpy.app runmacro example_macro.dp-in
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diffpy-app runmacro example_macro.dp-in
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How to write macro
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~~~~~~~~~~~~~~~~~~
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.. code-block:: bash
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diffpy.app agentify
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diffpy-app agentify
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``claude`` and ``codex`` agent skills are supported, and ``claude`` is used
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by default. To specify the agent skill, use the ``--agent`` option:
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.. code-block:: bash
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diffpy.app agentify --agent codex
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diffpy-app agentify --agent codex
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To deploy the agentic skill to the system directory, use the ``--system`` flag:
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.. code-block:: bash
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diffpy.app agentify --system
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diffpy-app agentify --system
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To update the existing ``diffpy.cmi`` agentic skill, use the ``--update`` flag:
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.. code-block:: bash
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diffpy.app agentify --update
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diffpy-app agentify --update

‎_static/documentation_options.js‎

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const DOCUMENTATION_OPTIONS = {
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VERSION: '0.0.1',
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VERSION: '0.1.1rc0',
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LANGUAGE: 'en',
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COLLAPSE_INDEX: false,
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BUILDER: 'html',

‎genindex.html‎

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<head>
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<meta charset="utf-8" />
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<meta name="viewport" content="width=device-width, initial-scale=1.0" />
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<title>Index &mdash; diffpy.apps 0.0.1 documentation</title>
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<title>Index &mdash; diffpy.apps 0.1.1rc0 documentation</title>
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<link rel="stylesheet" type="text/css" href="_static/pygments.css?v=03e43079" />
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<link rel="stylesheet" type="text/css" href="_static/css/theme.css?v=9edc463e" />
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<link rel="stylesheet" type="text/css" href="_static/copybutton.css?v=76b2166b" />
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<script src="_static/jquery.js?v=5d32c60e"></script>
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<script src="_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
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<script src="_static/documentation_options.js?v=f539c95a"></script>
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<script src="_static/documentation_options.js?v=e3d08f8f"></script>
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<script src="_static/doctools.js?v=fd6eb6e6"></script>
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<script src="_static/sphinx_highlight.js?v=6ffebe34"></script>
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<script src="_static/clipboard.min.js?v=a7894cd8"></script>

‎getting-started.html‎

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<meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
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<meta name="viewport" content="width=device-width, initial-scale=1.0" />
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<title>Getting started &mdash; diffpy.apps 0.0.1 documentation</title>
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<title>Getting started &mdash; diffpy.apps 0.1.1rc0 documentation</title>
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<link rel="stylesheet" type="text/css" href="_static/pygments.css?v=03e43079" />
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<link rel="stylesheet" type="text/css" href="_static/css/theme.css?v=9edc463e" />
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<script src="_static/jquery.js?v=5d32c60e"></script>
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<script src="_static/documentation_options.js?v=f539c95a"></script>
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<script src="_static/documentation_options.js?v=e3d08f8f"></script>
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<script src="_static/doctools.js?v=fd6eb6e6"></script>
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<script src="_static/sphinx_highlight.js?v=6ffebe34"></script>
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<span id="runmacro"></span><h2>Use <code class="docutils literal notranslate"><span class="pre">runmacro</span></code> to start refinement with a macro file<a class="headerlink" href="#use-runmacro-to-start-refinement-with-a-macro-file" title="Link to this heading"></a></h2>
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<p>The <code class="docutils literal notranslate"><span class="pre">runmacro</span></code> application allows users to execute macros written in the
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diffpy macro language.</p>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>diffpy.app<span class="w"> </span>runmacro<span class="w"> </span>&lt;macro_file.dp-in&gt;
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>diffpy-app<span class="w"> </span>runmacro<span class="w"> </span>&lt;macro_file.dp-in&gt;
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</pre></div>
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</div>
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<p>To follow the example,</p>
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<ol class="arabic simple" start="3">
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<li><p>run the macro using the <code class="docutils literal notranslate"><span class="pre">runmacro</span></code> application</p></li>
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</ol>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>diffpy.app<span class="w"> </span>runmacro<span class="w"> </span>example_macro.dp-in
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>diffpy-app<span class="w"> </span>runmacro<span class="w"> </span>example_macro.dp-in
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</pre></div>
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</div>
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<section id="how-to-write-macro">
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<span id="agentify"></span><h2>Use <code class="docutils literal notranslate"><span class="pre">agentify</span></code> to deploy agent skills <code class="docutils literal notranslate"><span class="pre">diffpy.cmi</span></code><a class="headerlink" href="#use-agentify-to-deploy-agent-skills-diffpy-cmi" title="Link to this heading"></a></h2>
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<p>The <code class="docutils literal notranslate"><span class="pre">agentify</span></code> application allows users to deploy agentic skills in the
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local environment. To use this application, run:</p>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>diffpy.app<span class="w"> </span>agentify
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>diffpy-app<span class="w"> </span>agentify
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</pre></div>
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</div>
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<p><code class="docutils literal notranslate"><span class="pre">claude</span></code> and <code class="docutils literal notranslate"><span class="pre">codex</span></code> agent skills are supported, and <code class="docutils literal notranslate"><span class="pre">claude</span></code> is used
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by default. To specify the agent skill, use the <code class="docutils literal notranslate"><span class="pre">--agent</span></code> option:</p>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>diffpy.app<span class="w"> </span>agentify<span class="w"> </span>--agent<span class="w"> </span>codex
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>diffpy-app<span class="w"> </span>agentify<span class="w"> </span>--agent<span class="w"> </span>codex
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</pre></div>
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<p>To deploy the agentic skill to the system directory, use the <code class="docutils literal notranslate"><span class="pre">--system</span></code> flag:</p>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>diffpy.app<span class="w"> </span>agentify<span class="w"> </span>--system
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>diffpy-app<span class="w"> </span>agentify<span class="w"> </span>--system
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</pre></div>
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</div>
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<p>To update the existing <code class="docutils literal notranslate"><span class="pre">diffpy.cmi</span></code> agentic skill, use the <code class="docutils literal notranslate"><span class="pre">--update</span></code> flag:</p>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>diffpy.app<span class="w"> </span>agentify<span class="w"> </span>--update
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>diffpy-app<span class="w"> </span>agentify<span class="w"> </span>--update
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</pre></div>
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</div>
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</section>

‎index.html‎

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<meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
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<meta name="viewport" content="width=device-width, initial-scale=1.0" />
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<title>diffpy.apps documentation &mdash; diffpy.apps 0.0.1 documentation</title>
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<title>diffpy.apps documentation &mdash; diffpy.apps 0.1.1rc0 documentation</title>
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<link rel="stylesheet" type="text/css" href="_static/pygments.css?v=03e43079" />
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<link rel="stylesheet" type="text/css" href="_static/css/theme.css?v=9edc463e" />
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<script src="_static/jquery.js?v=5d32c60e"></script>
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<script src="_static/documentation_options.js?v=f539c95a"></script>
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<script src="_static/documentation_options.js?v=e3d08f8f"></script>
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<h1>diffpy.apps documentation<a class="headerlink" href="#title" title="Link to this heading"></a></h1>
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<p><code class="docutils literal notranslate"><span class="pre">diffpy.apps</span></code> - User applications to help with tasks using diffpy packages</p>
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<div class="line-block">
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<div class="line">Software version 0.0.1</div>
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<div class="line">Last updated May 19, 2026.</div>
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<div class="line">Software version 0.1.1rc0</div>
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<div class="line">Last updated May 26, 2026.</div>
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</div>
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<section id="getting-started">
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<h2>Getting started<a class="headerlink" href="#getting-started" title="Link to this heading"></a></h2>

‎license.html‎

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<title>License &mdash; diffpy.apps 0.0.1 documentation</title>
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<title>License &mdash; diffpy.apps 0.1.1rc0 documentation</title>
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‎objects.inv‎

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‎release.html‎

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<title>Release notes &mdash; diffpy.apps 0.0.1 documentation</title>
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<title>Release notes &mdash; diffpy.apps 0.1.1rc0 documentation</title>
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‎search.html‎

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<head>
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<title>Search &mdash; diffpy.apps 0.0.1 documentation</title>
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<title>Search &mdash; diffpy.apps 0.1.1rc0 documentation</title>
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