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# Sphinx build info version 1
# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
config: 71d73e076ac95bc87ecd3632b2ba6860
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tags: 645f666f9bcd5a90fca523b33c5a78b7
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Expand Down Expand Up @@ -185,7 +186,6 @@ <h1>Source code for sumo.electronic_structure.bandstructure</h1><div class="high

<span class="c1"># store the projections for all elements and orbitals in a useable format</span>
<span class="k">for</span> <span class="n">spin</span><span class="p">,</span> <span class="n">element</span><span class="p">,</span> <span class="n">orbital</span> <span class="ow">in</span> <span class="n">it</span><span class="o">.</span><span class="n">product</span><span class="p">(</span><span class="n">spins</span><span class="p">,</span> <span class="n">elements</span><span class="p">,</span> <span class="n">all_orbitals</span><span class="p">):</span>

<span class="c1"># convert data to [nb][nk]</span>
<span class="n">el_orb_proj</span> <span class="o">=</span> <span class="p">[</span>
<span class="p">[</span><span class="n">all_proj</span><span class="p">[</span><span class="n">spin</span><span class="p">][</span><span class="n">nb</span><span class="p">][</span><span class="n">nk</span><span class="p">][</span><span class="n">element</span><span class="p">][</span><span class="n">orbital</span><span class="p">]</span> <span class="k">for</span> <span class="n">nk</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nkpts</span><span class="p">)]</span>
Expand All @@ -200,7 +200,6 @@ <h1>Source code for sumo.electronic_structure.bandstructure</h1><div class="high
<span class="c1"># now go through the selected orbitals and extract what&#39;s needed</span>
<span class="n">spec_proj</span> <span class="o">=</span> <span class="p">[]</span>
<span class="k">for</span> <span class="n">spec</span> <span class="ow">in</span> <span class="n">selection</span><span class="p">:</span>

<span class="k">if</span> <span class="nb">isinstance</span><span class="p">(</span><span class="n">spec</span><span class="p">,</span> <span class="nb">str</span><span class="p">):</span>
<span class="c1"># spec is just an element type, therefore sum all orbitals</span>
<span class="n">element</span> <span class="o">=</span> <span class="n">spec</span>
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