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_sources/content/freysoldt-correction.ipynb

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@@ -213,7 +213,6 @@
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" \"\"\"Read the output of sxdefectalign\"\"\"\n",
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" fname = str(DEFECT_DIR / f\"q={q}/corr_align.out\")\n",
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" gen = reverse_readfile(fname)\n",
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" next(gen)\n",
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" line = next(gen)\n",
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" return float(line.split()[3])"
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]
@@ -242,7 +241,7 @@
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"name": "python",
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"nbconvert_exporter": "python",
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"pygments_lexer": "ipython3",
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"version": "3.9.16"
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"version": "3.11.11"
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}
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},
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"nbformat": 4,

content/freysoldt-correction.html

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@@ -563,7 +563,6 @@ <h1>Freysoldt Correction<a class="headerlink" href="#freysoldt-correction" title
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<span class="w"> </span><span class="sd">&quot;&quot;&quot;Read the output of sxdefectalign&quot;&quot;&quot;</span>
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<span class="n">fname</span> <span class="o">=</span> <span class="nb">str</span><span class="p">(</span><span class="n">DEFECT_DIR</span> <span class="o">/</span> <span class="sa">f</span><span class="s2">&quot;q=</span><span class="si">{</span><span class="n">q</span><span class="si">}</span><span class="s2">/corr_align.out&quot;</span><span class="p">)</span>
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<span class="n">gen</span> <span class="o">=</span> <span class="n">reverse_readfile</span><span class="p">(</span><span class="n">fname</span><span class="p">)</span>
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<span class="nb">next</span><span class="p">(</span><span class="n">gen</span><span class="p">)</span>
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<span class="n">line</span> <span class="o">=</span> <span class="nb">next</span><span class="p">(</span><span class="n">gen</span><span class="p">)</span>
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<span class="k">return</span> <span class="nb">float</span><span class="p">(</span><span class="n">line</span><span class="o">.</span><span class="n">split</span><span class="p">()[</span><span class="mi">3</span><span class="p">])</span>
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</pre></div>

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