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berquist committed Mar 7, 2024
1 parent 08c9875 commit ea6228b
Showing 1 changed file with 4 additions and 4 deletions.
8 changes: 4 additions & 4 deletions _modules/pymolresponse/cphf.html
Original file line number Diff line number Diff line change
Expand Up @@ -214,9 +214,9 @@ <h1>Source code for pymolresponse.cphf</h1><div class="highlight"><pre>
<span class="n">row_starts</span> <span class="o">=</span> <span class="p">[]</span>
<span class="n">col_starts</span> <span class="o">=</span> <span class="p">[]</span>
<span class="n">row_start</span> <span class="o">=</span> <span class="mi">0</span>
<span class="k">for</span> <span class="n">iop1</span><span class="p">,</span> <span class="n">op1</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">solver</span><span class="o">.</span><span class="n">operators</span><span class="p">):</span>
<span class="k">for</span> <span class="n">op1</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">solver</span><span class="o">.</span><span class="n">operators</span><span class="p">:</span>
<span class="n">col_start</span> <span class="o">=</span> <span class="mi">0</span>
<span class="k">for</span> <span class="n">iop2</span><span class="p">,</span> <span class="n">op2</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">solver</span><span class="o">.</span><span class="n">operators</span><span class="p">):</span>
<span class="k">for</span> <span class="n">op2</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">solver</span><span class="o">.</span><span class="n">operators</span><span class="p">:</span>
<span class="n">result_block</span> <span class="o">=</span> <span class="mf">0.0</span>
<span class="n">result_block_alph</span> <span class="o">=</span> <span class="n">form_results</span><span class="p">(</span>
<span class="n">op1</span><span class="o">.</span><span class="n">mo_integrals_ai_supervector_alph</span><span class="p">,</span>
Expand Down Expand Up @@ -309,9 +309,9 @@ <h1>Source code for pymolresponse.cphf</h1><div class="highlight"><pre>
<span class="n">row_starts</span> <span class="o">=</span> <span class="p">[]</span>
<span class="n">col_starts</span> <span class="o">=</span> <span class="p">[]</span>
<span class="n">row_start</span> <span class="o">=</span> <span class="mi">0</span>
<span class="k">for</span> <span class="n">iop1</span><span class="p">,</span> <span class="n">op1</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">solver</span><span class="o">.</span><span class="n">operators</span><span class="p">):</span>
<span class="k">for</span> <span class="n">op1</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">solver</span><span class="o">.</span><span class="n">operators</span><span class="p">:</span>
<span class="n">col_start</span> <span class="o">=</span> <span class="mi">0</span>
<span class="k">for</span> <span class="n">iop2</span><span class="p">,</span> <span class="n">op2</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">solver</span><span class="o">.</span><span class="n">operators</span><span class="p">):</span>
<span class="k">for</span> <span class="n">op2</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">solver</span><span class="o">.</span><span class="n">operators</span><span class="p">:</span>
<span class="n">result_block</span> <span class="o">=</span> <span class="mf">0.0</span>
<span class="n">result_block_alph</span> <span class="o">=</span> <span class="n">form_results</span><span class="p">(</span>
<span class="n">op1</span><span class="o">.</span><span class="n">mo_integrals_ai_supervector_alph</span><span class="p">,</span> <span class="n">op2</span><span class="o">.</span><span class="n">rspvecs_alph</span><span class="p">[</span><span class="n">f</span><span class="p">]</span>
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