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2.0
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<p class="caption"><span class="caption-text">Introduction</span></p>
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<li class="toctree-l2 current"><a class="current reference internal" href="#">qpsh</a><ul>
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<li class="toctree-l3"><a class="reference internal" href="#qp">qp</a><ul>
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<li class="toctree-l4"><a class="reference internal" href="#ezfio-access">EZFIO access</a></li>
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<li class="toctree-l4"><a class="reference internal" href="#running-programs">Running programs</a></li>
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<li class="toctree-l2"><a class="reference internal" href="qp_convert_output_to_ezfio.html">qp_convert_output_to_ezfio</a></li>
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<li class="toctree-l2"><a class="reference internal" href="qp_create_ezfio_from_xyz.html">qp_create_ezfio</a></li>
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<li class="toctree-l2"><a class="reference internal" href="qp_set_mo_class.html">qp_set_mo_class</a></li>
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<li class="toctree-l2"><a class="reference internal" href="qp_stop.html">qp_stop</a></li>
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<li class="toctree-l2"><a class="reference internal" href="qp_update.html">qp_update</a></li>
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<li class="toctree-l1"><a class="reference internal" href="index.html#index-of-programs">Index of programs</a></li>
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<p class="caption"><span class="caption-text">Programmer's guide</span></p>
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<li class="toctree-l1"><a class="reference internal" href="../programmers_guide/programming.html">Programming in the <em>Quantum Package</em></a></li>
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<li class="toctree-l1"><a class="reference internal" href="../programmers_guide/ezfio.html">EZFIO</a></li>
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<p class="caption"><span class="caption-text">Appendix</span></p>
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<ul>
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<li class="toctree-l1"><a class="reference internal" href="../appendix/benchmarks.html">Benchmarks</a></li>
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<li class="toctree-l1"><a class="reference internal" href="../appendix/research.html">Some research made with the <em>Quantum Package</em></a></li>
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<div class="section" id="qpsh">
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<span id="id1"></span><h1>qpsh<a class="headerlink" href="#qpsh" title="Permalink to this headline">¶</a></h1>
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<p><strong class="command">qpsh</strong> is the <em>Quantum Package</em> shell. It is a Bash shell with all the
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required evironment variables loaded, a modified prompt, and the
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<a class="reference internal" href="#qp"><span class="std std-ref">qp</span></a> command.</p>
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<div class="section" id="qp">
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<span id="id2"></span><h2>qp<a class="headerlink" href="#qp" title="Permalink to this headline">¶</a></h2>
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<p>This command is a hub to the most used command within <em>Quantum Package</em>. The power
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of the <a class="reference internal" href="#qpsh"><span class="std std-ref">qpsh</span></a> shell is the auto-completion that comes when the
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<kbd class="kbd docutils literal notranslate"><Tab></kbd> key is pressed with the <a class="reference internal" href="#qp"><span class="std std-ref">qp</span></a> command.</p>
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<div class="section" id="ezfio-access">
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<h3>EZFIO access<a class="headerlink" href="#ezfio-access" title="Permalink to this headline">¶</a></h3>
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<dl class="option">
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<dt id="cmdoption-qp-arg-set-file">
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<code class="descname">set_file</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-arg-set-file" title="Permalink to this definition">¶</a></dt>
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<dd><div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">qp</span> <span class="n">set_file</span> <span class="n">EZFIO_DIR</span>
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</pre></div>
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</div>
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<p>Sets the current <a class="reference external" href="http://gitlab.com/scemama/EZFIO">EZFIO</a> directory. All the following instruction will be
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relative to this directory.</p>
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<p>This command is equivalent to <strong class="command">ezfio set_file EZFIO_DIR</strong>.</p>
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</dd></dl>
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<dl class="option">
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<dt id="cmdoption-qp-arg-unset-file">
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<code class="descname">unset_file</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-arg-unset-file" title="Permalink to this definition">¶</a></dt>
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<dd><div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">qp</span> <span class="n">unset_file</span>
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</pre></div>
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</div>
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<p>Unsets the current <a class="reference external" href="http://gitlab.com/scemama/EZFIO">EZFIO</a> directory.</p>
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<p>This command is equivalent to <strong class="command">ezfio unset_file</strong>.</p>
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</dd></dl>
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<dl class="option">
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<dt id="cmdoption-qp-arg-has">
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<code class="descname">has</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-arg-has" title="Permalink to this definition">¶</a></dt>
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<dd><div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">qp</span> <span class="n">has</span> <span class="o"><</span><span class="n">module</span><span class="o">></span> <span class="o"><</span><span class="n">parameter</span><span class="o">></span>
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</pre></div>
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</div>
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<p>If the <cite><module>/<parameter></cite> is set in the <a class="reference external" href="http://gitlab.com/scemama/EZFIO">EZFIO</a> directory, returns 1.
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Otherwise returns 0.</p>
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<p>This command is equivalent to <strong class="command">ezfio has <module> <parameter></strong>.</p>
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</dd></dl>
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<dl class="option">
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<dt id="cmdoption-qp-arg-get">
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<code class="descname">get</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-arg-get" title="Permalink to this definition">¶</a></dt>
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<dd><div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">qp</span> <span class="n">get</span> <span class="o"><</span><span class="n">module</span><span class="o">></span> <span class="o"><</span><span class="n">parameter</span><span class="o">></span>
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</pre></div>
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</div>
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<p>Returns the value of <cite><module>/<parameter></cite>.</p>
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<p>This command is equivalent to <strong class="command">ezfio get <module> <parameter></strong>.</p>
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</dd></dl>
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<dl class="option">
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<dt id="cmdoption-qp-arg-set">
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<code class="descname">set</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-arg-set" title="Permalink to this definition">¶</a></dt>
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<dd><div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">qp</span> <span class="nb">set</span> <span class="o"><</span><span class="n">module</span><span class="o">></span> <span class="o"><</span><span class="n">parameter</span><span class="o">></span> <span class="p">[</span><span class="o"><</span><span class="n">value</span><span class="o">></span><span class="p">]</span>
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</pre></div>
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</div>
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<p>Sets the value of <cite><module>/<parameter></cite>. If the value is not given in
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the command line it is read from the standard input.</p>
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<p>This command is equivalent to
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<strong class="command">ezfio set <module> <parameter> [<value>]</strong>.</p>
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</dd></dl>
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</div>
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<div class="section" id="running-programs">
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<h3>Running programs<a class="headerlink" href="#running-programs" title="Permalink to this headline">¶</a></h3>
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<dl class="option">
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<dt id="cmdoption-qp-arg-run">
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<code class="descname">run</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-arg-run" title="Permalink to this definition">¶</a></dt>
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<dd><blockquote>
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<div><div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">qp</span> <span class="p">(</span><span class="n">run</span><span class="o">|</span><span class="n">srun</span><span class="o">|</span><span class="n">mpirun</span><span class="p">)</span> <span class="p">[</span><span class="n">options</span><span class="p">]</span> <span class="o"><</span><span class="n">program</span><span class="o">></span>
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</pre></div>
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</div>
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</div></blockquote>
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<p>Runs <a class="reference internal" href="qp_run.html#qp-run"><span class="std std-ref">qp_run</span></a>, <span class="xref std std-ref">qp_srun</span>, or <span class="xref std std-ref">qp_mpirun</span> using the current
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<a class="reference external" href="http://gitlab.com/scemama/EZFIO">EZFIO</a> directory.</p>
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</dd></dl>
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<dl class="option">
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<dt id="cmdoption-qp-arg-stop">
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<code class="descname">stop</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-arg-stop" title="Permalink to this definition">¶</a></dt>
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<dd><p><strong class="command">qp stop</strong> : runs <a class="reference internal" href="qp_stop.html#qp-stop"><span class="std std-ref">qp_stop</span></a></p>
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</dd></dl>
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</div>
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<div class="section" id="getting-help">
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<h3>Getting help<a class="headerlink" href="#getting-help" title="Permalink to this headline">¶</a></h3>
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<dl class="option">
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||
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<dt id="cmdoption-qp-arg-man">
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<code class="descname">man</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-arg-man" title="Permalink to this definition">¶</a></dt>
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||
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<dd><blockquote>
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<div><div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">qp</span> <span class="n">man</span> <span class="p">(</span><span class="o"><</span><span class="n">program</span><span class="o">>|<</span><span class="n">qp_command</span><span class="o">></span><span class="p">)</span>
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</pre></div>
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</div>
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</div></blockquote>
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||
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<p>Displays a man page for a <em>Quantum Package</em> program or a <em>Quantum Package</em> command.</p>
|
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</dd></dl>
|
||
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</div>
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<div class="section" id="running-quantum-package-commands">
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<h3>Running quantum package commands<a class="headerlink" href="#running-quantum-package-commands" title="Permalink to this headline">¶</a></h3>
|
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<p>The <code class="docutils literal notranslate"><span class="pre">qp_</span></code> commands can be run without specifying the <a class="reference external" href="http://gitlab.com/scemama/EZFIO">EZFIO</a> directory:</p>
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<dl class="option">
|
||
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<dt id="cmdoption-qp-arg-convert-output-to-ezfio">
|
||
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<code class="descname">convert_output_to_ezfio</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-arg-convert-output-to-ezfio" title="Permalink to this definition">¶</a></dt>
|
||
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<dd><p><strong class="command">qp convert_output_to_ezfio</strong> : runs <a class="reference internal" href="qp_convert_output_to_ezfio.html#qp-convert-output-to-ezfio"><span class="std std-ref">qp_convert_output_to_ezfio</span></a></p>
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</dd></dl>
|
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<dl class="option">
|
||
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<dt id="cmdoption-qp-arg-create-ezfio">
|
||
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<code class="descname">create_ezfio</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-arg-create-ezfio" title="Permalink to this definition">¶</a></dt>
|
||
|
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<dd><p><strong class="command">qp create_ezfio</strong> : runs <a class="reference internal" href="qp_create_ezfio_from_xyz.html#qp-create-ezfio"><span class="std std-ref">qp_create_ezfio</span></a></p>
|
||
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</dd></dl>
|
||
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<dl class="option">
|
||
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<dt id="cmdoption-qp-arg-plugins">
|
||
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<code class="descname">plugins</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-arg-plugins" title="Permalink to this definition">¶</a></dt>
|
||
|
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<dd><p><strong class="command">qp plugins</strong> : runs <a class="reference internal" href="qp_plugins.html#qp-plugins"><span class="std std-ref">qp_plugins</span></a></p>
|
||
|
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</dd></dl>
|
||
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|
||
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<dl class="option">
|
||
|
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<dt id="cmdoption-qp-arg-reset">
|
||
|
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<code class="descname">reset</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-arg-reset" title="Permalink to this definition">¶</a></dt>
|
||
|
|
<dd><p><strong class="command">qp reset</strong> : runs <span class="xref std std-ref">qp_reset</span></p>
|
||
|
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</dd></dl>
|
||
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|
||
|
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<dl class="option">
|
||
|
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<dt id="cmdoption-qp-arg-set-frozen-core">
|
||
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<code class="descname">set_frozen_core</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-arg-set-frozen-core" title="Permalink to this definition">¶</a></dt>
|
||
|
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<dd><p><strong class="command">qp set_frozen_core</strong> : runs <a class="reference internal" href="qp_set_frozen_core.html#qp-set-frozen-core"><span class="std std-ref">qp_set_frozen_core</span></a></p>
|
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|
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</dd></dl>
|
||
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|
||
|
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<dl class="option">
|
||
|
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<dt id="cmdoption-qp-arg-set-mo-class">
|
||
|
|
<code class="descname">set_mo_class</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-arg-set-mo-class" title="Permalink to this definition">¶</a></dt>
|
||
|
|
<dd><p><strong class="command">qp set_mo_class</strong> : runs <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></p>
|
||
|
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</dd></dl>
|
||
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|
|
||
|
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<dl class="option">
|
||
|
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<dt id="cmdoption-qp-arg-update">
|
||
|
|
<code class="descname">update</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-arg-update" title="Permalink to this definition">¶</a></dt>
|
||
|
|
<dd><p><strong class="command">qp update</strong> : runs <a class="reference internal" href="qp_update.html#qp-update"><span class="std std-ref">qp_update</span></a></p>
|
||
|
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</dd></dl>
|
||
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||
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</div>
|
||
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</div>
|
||
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© Copyright 2018, A. Scemama, E. Giner
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