Deployed 0e4d857 to latest with MkDocs 1.5.3 and mike 2.1.2

SimonBoothroyd · Jul 27, 2024 · 69ddbdd · 69ddbdd
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@@ -1957,7 +1957,7 @@ <h2 id="smee.converters.openmm.create_openmm_system" class="doc doc-heading">
 </span><span id="__span-0-104"><a id="__codelineno-0-104" name="__codelineno-0-104"></a>                <span class="n">parent_idxs</span> <span class="o">=</span> <span class="p">[</span><span class="n">i</span> <span class="o">+</span> <span class="n">start_idx</span> <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="n">key</span><span class="o">.</span><span class="n">orientation_atom_indices</span><span class="p">]</span>
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 </span><span id="__span-0-106"><a id="__codelineno-0-106" name="__codelineno-0-106"></a>                <span class="n">local_frame_coords</span> <span class="o">=</span> <span class="n">smee</span><span class="o">.</span><span class="n">geometry</span><span class="o">.</span><span class="n">polar_to_cartesian_coords</span><span class="p">(</span>
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+</span><span id="__span-0-107"><a id="__codelineno-0-107" name="__codelineno-0-107"></a>                    <span class="n">v_sites</span><span class="o">.</span><span class="n">parameters</span><span class="p">[[</span><span class="n">parameter_idx</span><span class="p">],</span> <span class="p">:]</span><span class="o">.</span><span class="n">detach</span><span class="p">()</span>
 </span><span id="__span-0-108"><a id="__codelineno-0-108" name="__codelineno-0-108"></a>                <span class="p">)</span>
 </span><span id="__span-0-109"><a id="__codelineno-0-109" name="__codelineno-0-109"></a>                <span class="n">origin</span><span class="p">,</span> <span class="n">x_dir</span><span class="p">,</span> <span class="n">y_dir</span> <span class="o">=</span> <span class="n">v_sites</span><span class="o">.</span><span class="n">weights</span><span class="p">[</span><span class="n">parameter_idx</span><span class="p">]</span>
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