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198 lines
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<section id="grogupy-package">
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<h1>grogupy package<a class="headerlink" href="#grogupy-package" title="Link to this heading"></a></h1>
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<section id="submodules">
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<h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading"></a></h2>
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<div class="toctree-wrapper compound">
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<ul>
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<li class="toctree-l1"><a class="reference internal" href="grogupy.core.html">grogupy.core module</a><ul>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.core.html#grogupy.core.build_hh_ss"><code class="docutils literal notranslate"><span class="pre">build_hh_ss()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.core.html#grogupy.core.calc_Vu"><code class="docutils literal notranslate"><span class="pre">calc_Vu()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.core.html#grogupy.core.onsite_projection"><code class="docutils literal notranslate"><span class="pre">onsite_projection()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.core.html#grogupy.core.parallel_Gk"><code class="docutils literal notranslate"><span class="pre">parallel_Gk()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.core.html#grogupy.core.remove_clutter_for_save"><code class="docutils literal notranslate"><span class="pre">remove_clutter_for_save()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.core.html#grogupy.core.sequential_GK"><code class="docutils literal notranslate"><span class="pre">sequential_GK()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.core.html#grogupy.core.setup_pairs_and_magnetic_entities"><code class="docutils literal notranslate"><span class="pre">setup_pairs_and_magnetic_entities()</span></code></a></li>
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</ul>
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</li>
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<li class="toctree-l1"><a class="reference internal" href="grogupy.grogu.html">grogupy.grogu module</a><ul>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.grogu.html#grogupy.grogu.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
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</ul>
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</li>
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<li class="toctree-l1"><a class="reference internal" href="grogupy.io.html">grogupy.io module</a><ul>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.io.html#grogupy.io.load_pickle"><code class="docutils literal notranslate"><span class="pre">load_pickle()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.io.html#grogupy.io.print_atoms_and_pairs"><code class="docutils literal notranslate"><span class="pre">print_atoms_and_pairs()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.io.html#grogupy.io.print_job_description"><code class="docutils literal notranslate"><span class="pre">print_job_description()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.io.html#grogupy.io.print_parameters"><code class="docutils literal notranslate"><span class="pre">print_parameters()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.io.html#grogupy.io.print_runtime_information"><code class="docutils literal notranslate"><span class="pre">print_runtime_information()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.io.html#grogupy.io.save_pickle"><code class="docutils literal notranslate"><span class="pre">save_pickle()</span></code></a></li>
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</ul>
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</li>
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<li class="toctree-l1"><a class="reference internal" href="grogupy.magnetism.html">grogupy.magnetism module</a><ul>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.magnetism.html#grogupy.magnetism.blow_up_orbindx"><code class="docutils literal notranslate"><span class="pre">blow_up_orbindx()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.magnetism.html#grogupy.magnetism.calculate_anisotropy_tensor"><code class="docutils literal notranslate"><span class="pre">calculate_anisotropy_tensor()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.magnetism.html#grogupy.magnetism.calculate_exchange_tensor"><code class="docutils literal notranslate"><span class="pre">calculate_exchange_tensor()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.magnetism.html#grogupy.magnetism.parse_magnetic_entity"><code class="docutils literal notranslate"><span class="pre">parse_magnetic_entity()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.magnetism.html#grogupy.magnetism.spin_tracer"><code class="docutils literal notranslate"><span class="pre">spin_tracer()</span></code></a></li>
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</ul>
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</li>
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<li class="toctree-l1"><a class="reference internal" href="grogupy.utilities.html">grogupy.utilities module</a><ul>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.utilities.html#grogupy.utilities.RotM"><code class="docutils literal notranslate"><span class="pre">RotM()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.utilities.html#grogupy.utilities.RotMa2b"><code class="docutils literal notranslate"><span class="pre">RotMa2b()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.utilities.html#grogupy.utilities.commutator"><code class="docutils literal notranslate"><span class="pre">commutator()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.utilities.html#grogupy.utilities.crossM"><code class="docutils literal notranslate"><span class="pre">crossM()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.utilities.html#grogupy.utilities.hsk"><code class="docutils literal notranslate"><span class="pre">hsk()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.utilities.html#grogupy.utilities.int_de_ke"><code class="docutils literal notranslate"><span class="pre">int_de_ke()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.utilities.html#grogupy.utilities.make_contour"><code class="docutils literal notranslate"><span class="pre">make_contour()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.utilities.html#grogupy.utilities.make_kset"><code class="docutils literal notranslate"><span class="pre">make_kset()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.utilities.html#grogupy.utilities.read_siesta_emin"><code class="docutils literal notranslate"><span class="pre">read_siesta_emin()</span></code></a></li>
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<li class="toctree-l2"><a class="reference internal" href="grogupy.utilities.html#grogupy.utilities.tau_u"><code class="docutils literal notranslate"><span class="pre">tau_u()</span></code></a></li>
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</ul>
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</li>
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</ul>
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</div>
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</section>
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<section id="module-grogupy">
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<span id="module-contents"></span><h2>Module contents<a class="headerlink" href="#module-grogupy" title="Link to this heading"></a></h2>
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