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deploy: 9c2d434
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RandomDefaultUser committed Oct 26, 2023
1 parent 0c11d55 commit 6e56fd3
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2 changes: 1 addition & 1 deletion _modules/mala/network/tester.html
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Expand Up @@ -286,7 +286,7 @@ <h1>Source code for mala.network.tester</h1><div class="highlight"><pre>
<span class="n">target_calculator</span><span class="o">.</span><span class="n">read_from_array</span><span class="p">(</span><span class="n">predicted_target</span><span class="p">)</span>
<span class="n">predicted</span> <span class="o">=</span> <span class="n">target_calculator</span><span class="o">.</span><span class="n">band_energy</span>
<span class="k">return</span> <span class="p">[</span><span class="n">actual</span><span class="p">,</span> <span class="n">predicted</span><span class="p">,</span>
<span class="n">target_calculator</span><span class="o">.</span><span class="n">total_energy_dft_calculation</span><span class="p">]</span>
<span class="n">target_calculator</span><span class="o">.</span><span class="n">band_energy_dft_calculation</span><span class="p">]</span>

<span class="k">elif</span> <span class="n">observable</span> <span class="o">==</span> <span class="s2">&quot;number_of_electrons&quot;</span><span class="p">:</span>
<span class="n">target_calculator</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">data</span><span class="o">.</span><span class="n">target_calculator</span>
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