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coverage/class_index.html

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coverage/coverage.xml

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coverage/function_index.html

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coverage/index.html

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coverage/status.json

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coverage/z_2013e641c2412851___init___py.html

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coverage/z_d3f8250a0d9fde9f_common_py.html

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coverage/z_d3f8250a0d9fde9f_cp2k_prep_py.html

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<p class="run"><span class="n"><a id="t229" href="#t229">229</a></span><span class="t"> <span class="nam">box_x</span> <span class="op">=</span> <span class="nam">box_x</span> <span class="op">+</span> <span class="nam">self</span><span class="op">.</span><span class="nam">cell_cutoff</span>&nbsp;</span><span class="r"></span></p>
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<p class="run"><span class="n"><a id="t230" href="#t230">230</a></span><span class="t"> <span class="nam">box_y</span> <span class="op">=</span> <span class="nam">box_y</span> <span class="op">+</span> <span class="nam">self</span><span class="op">.</span><span class="nam">cell_cutoff</span>&nbsp;</span><span class="r"></span></p>
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