nction built in iprPy can be accessed by calling the calc() method of an object of the associated calculation class.</p>
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<div class="input_area highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="k">def</span> <span class="nf">diatom_scan</span><span class="p">(</span><span class="n">lammps_command</span><span class