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2.0
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<li>qp_edit</li>
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<div class="section" id="qp-edit">
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<span id="id1"></span><h1>qp_edit<a class="headerlink" href="#qp-edit" title="Permalink to this headline">¶</a></h1>
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<p>This command reads the content of the <a class="reference external" href="http://gitlab.com/scemama/EZFIO">EZFIO</a> directory and creates
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a temporary file containing the data. The data is presented as a
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<em>ReStructured Text</em> (rst) document, where each section corresponds to
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the corresponding <em>Quantum Package</em> module. The content of the file can be modified
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to change the input parameters. When the text editor is closed, the
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updated data is saved into the <a class="reference external" href="http://gitlab.com/scemama/EZFIO">EZFIO</a> directory.</p>
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<div class="admonition note">
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<p class="first admonition-title">Note</p>
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<p class="last">The text editor which will be opened is defined by the <span class="target" id="index-0"></span><code class="xref std std-envvar docutils literal notranslate"><span class="pre">EDITOR</span></code>
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environment variable. If this variable is not set, the <strong class="command">vi</strong>
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text editor will be used by default.</p>
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</div>
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<div class="admonition warning">
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<p class="first admonition-title">Warning</p>
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<p class="last">When the wave function is too large (more than 10 000 determinants), the
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determinants are not displayed.</p>
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</div>
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<div class="admonition note">
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<p class="first admonition-title">Note</p>
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<p>On some machines the terminal will be stuck in inverted colors after using
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qp_edit. To Avoid this problem, put in your <code class="file docutils literal notranslate"><span class="pre">$HOME/.vimrc</span></code>:</p>
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<div class="last highlight-default notranslate"><div class="highlight"><pre><span></span><span class="nb">set</span> <span class="n">t_ti</span><span class="o">=</span>
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<span class="nb">set</span> <span class="n">t_te</span><span class="o">=</span>
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</pre></div>
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</div>
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</div>
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<div class="section" id="usage">
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<h2>Usage<a class="headerlink" href="#usage" title="Permalink to this headline">¶</a></h2>
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<div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">qp_edit</span> <span class="p">[</span><span class="o">-</span><span class="n">c</span><span class="p">]</span> <span class="p">[</span><span class="o">-</span><span class="n">h</span><span class="p">]</span> <span class="p">[</span><span class="o">-</span><span class="n">n</span> <span class="o"><</span><span class="nb">int</span><span class="o">></span><span class="p">]</span> <span class="p">[</span><span class="o">-</span><span class="n">s</span> <span class="o"><</span><span class="nb">range</span><span class="o">></span><span class="p">]</span> <span class="p">[</span><span class="o">--</span><span class="p">]</span> <span class="n">EZFIO_DIR</span>
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</pre></div>
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</div>
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<dl class="option">
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<dt id="cmdoption-qp-edit-c">
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<code class="descname">-c</code><code class="descclassname"></code><code class="descclassname">, </code><code class="descname">--check</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-edit-c" title="Permalink to this definition">¶</a></dt>
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<dd><p>Checks the input data</p>
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</dd></dl>
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<dl class="option">
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<dt id="cmdoption-qp-edit-h">
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<code class="descname">-h</code><code class="descclassname"></code><code class="descclassname">, </code><code class="descname">--help</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-edit-h" title="Permalink to this definition">¶</a></dt>
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<dd><p>Print the help text and exits</p>
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</dd></dl>
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<dl class="option">
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<dt id="cmdoption-qp-edit-n">
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<code class="descname">-n</code><code class="descclassname"></code><code class="descclassname">, </code><code class="descname">--ndet</code><code class="descclassname">=<int></code><a class="headerlink" href="#cmdoption-qp-edit-n" title="Permalink to this definition">¶</a></dt>
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<dd><p>Truncates the wavefunction to the target number of determinants</p>
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</dd></dl>
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<dl class="option">
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<dt id="cmdoption-qp-edit-s">
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<code class="descname">-s</code><code class="descclassname"></code><code class="descclassname">, </code><code class="descname">--state</code><code class="descclassname">=<range></code><a class="headerlink" href="#cmdoption-qp-edit-s" title="Permalink to this definition">¶</a></dt>
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<dd><p>Select the states to extract from the <a class="reference external" href="http://gitlab.com/scemama/EZFIO">EZFIO</a> directory, using the same conventions
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as <a class="reference internal" href="qp_set_mo_class.html#qp-set-mo-class"><span class="std std-ref">qp_set_mo_class</span></a>. See example below.</p>
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</dd></dl>
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</div>
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<div class="section" id="example">
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<h2>Example<a class="headerlink" href="#example" title="Permalink to this headline">¶</a></h2>
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<div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">qp_edit</span> <span class="o">--</span><span class="n">state</span><span class="o">=</span><span class="s2">"[1,3-5]"</span> <span class="n">test</span><span class="o">.</span><span class="n">ezfio</span>
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</pre></div>
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</div>
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<p>Removes all states except states 1,3,4 and 5 from <code class="file docutils literal notranslate"><span class="pre">test.ezfio</span></code>.
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The resulting <a class="reference external" href="http://gitlab.com/scemama/EZFIO">EZFIO</a> directory has 4 states.</p>
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</div>
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© Copyright 2018, A. Scemama, E. Giner
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