Changeset 1513 for trunk/sphinxdocs/build/html/_modules/GSASIIspc.html
- Timestamp:
- Oct 2, 2014 4:06:45 PM (11 years ago)
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TabularUnified trunk/sphinxdocs/build/html/_modules/GSASIIspc.html ¶
r1183 r1513 1 2 3 1 <!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" 4 2 "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd"> … … 61 59 <span class="sd">"""</span> 62 60 <span class="c">########### SVN repository information ###################</span> 63 <span class="c"># $Date: 201 3-12-17 09:38:23 -0600 (Tue, 17 Dec 2013) $</span>61 <span class="c"># $Date: 2014-09-07 14:37:26 -0400 (Sun, 07 Sep 2014) $</span> 64 62 <span class="c"># $Author: vondreele $</span> 65 <span class="c"># $Revision: 1 169 $</span>66 <span class="c"># $URL: https://subversion.x or.aps.anl.gov/pyGSAS/trunk/GSASIIspc.py $</span>67 <span class="c"># $Id: GSASIIspc.py 1 169 2013-12-17 15:38:23Z vondreele $</span>63 <span class="c"># $Revision: 1489 $</span> 64 <span class="c"># $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/GSASIIspc.py $</span> 65 <span class="c"># $Id: GSASIIspc.py 1489 2014-09-07 18:37:26Z vondreele $</span> 68 66 <span class="c">########### SVN repository information ###################</span> 69 67 <span class="kn">import</span> <span class="nn">numpy</span> <span class="kn">as</span> <span class="nn">np</span> 70 68 <span class="kn">import</span> <span class="nn">numpy.ma</span> <span class="kn">as</span> <span class="nn">ma</span> 71 69 <span class="kn">import</span> <span class="nn">numpy.linalg</span> <span class="kn">as</span> <span class="nn">nl</span> 70 <span class="kn">import</span> <span class="nn">scipy.optimize</span> <span class="kn">as</span> <span class="nn">so</span> 72 71 <span class="kn">import</span> <span class="nn">math</span> 73 72 <span class="kn">import</span> <span class="nn">sys</span> … … 75 74 76 75 <span class="kn">import</span> <span class="nn">GSASIIpath</span> 77 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 1 169 $"</span><span class="p">)</span>76 <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">"$Revision: 1489 $"</span><span class="p">)</span> 78 77 <span class="kn">import</span> <span class="nn">pyspg</span> 78 79 <span class="n">npsind</span> <span class="o">=</span> <span class="k">lambda</span> <span class="n">x</span><span class="p">:</span> <span class="n">np</span><span class="o">.</span><span class="n">sin</span><span class="p">(</span><span class="n">x</span><span class="o">*</span><span class="n">np</span><span class="o">.</span><span class="n">pi</span><span class="o">/</span><span class="mf">180.</span><span class="p">)</span> 80 <span class="n">npcosd</span> <span class="o">=</span> <span class="k">lambda</span> <span class="n">x</span><span class="p">:</span> <span class="n">np</span><span class="o">.</span><span class="n">cos</span><span class="p">(</span><span class="n">x</span><span class="o">*</span><span class="n">np</span><span class="o">.</span><span class="n">pi</span><span class="o">/</span><span class="mf">180.</span><span class="p">)</span> 79 81 80 82 <div class="viewcode-block" id="SpcGroup"><a class="viewcode-back" href="../GSASIIutil.html#GSASIIspc.SpcGroup">[docs]</a><span class="k">def</span> <span class="nf">SpcGroup</span><span class="p">(</span><span class="n">SGSymbol</span><span class="p">):</span> … … 414 416 <span class="n">XT</span> <span class="o">=</span> <span class="o">-</span><span class="n">XT</span> 415 417 <span class="n">XT</span> <span class="o">+=</span> <span class="n">C</span> 416 <span class="n">newX</span> <span class="o">=</span> <span class="n">MoveToUnitCell</span><span class="p">(</span><span class="n">XT</span><span class="p">)</span> 418 <span class="k">if</span> <span class="n">Move</span><span class="p">:</span> 419 <span class="n">newX</span> <span class="o">=</span> <span class="n">MoveToUnitCell</span><span class="p">(</span><span class="n">XT</span><span class="p">)</span> 420 <span class="k">else</span><span class="p">:</span> 421 <span class="n">newX</span> <span class="o">=</span> <span class="n">XT</span> 417 422 <span class="n">cell</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">rint</span><span class="p">(</span><span class="n">newX</span><span class="o">-</span><span class="n">XT</span><span class="p">),</span><span class="n">dtype</span><span class="o">=</span><span class="n">np</span><span class="o">.</span><span class="n">int32</span><span class="p">)</span> 418 423 <span class="k">if</span> <span class="n">All</span><span class="p">:</span> … … 492 497 <span class="s">'Needs a doc string'</span> 493 498 <span class="n">KNsym</span> <span class="o">=</span> <span class="p">{</span> 494 <span class="s">'0'</span> <span class="p">:</span><span class="s">' 1 '</span><span class="p">,</span><span class="s">'1'</span> <span class="p">:</span><span class="s">' -1 '</span><span class="p">,</span><span class="s">'64'</span> <span class="p">:</span><span class="s">' 2(100)'</span><span class="p">,</span><span class="s">'32'</span> <span class="p">:</span><span class="s">' m(100)'</span><span class="p">,</span>495 <span class="s">'97'</span> <span class="p">:</span><span class="s">' 2/m(100)'</span><span class="p">,</span><span class="s">'16'</span> <span class="p">:</span><span class="s">' 2(010)'</span><span class="p">,</span><span class="s">'8'</span> <span class="p">:</span><span class="s">' m(010)'</span><span class="p">,</span><span class="s">'25'</span> <span class="p">:</span><span class="s">'2/m(010)'</span><span class="p">,</span>496 <span class="s">'2'</span> <span class="p">:</span><span class="s">' 2(001)'</span><span class="p">,</span><span class="s">'4'</span> <span class="p">:</span><span class="s">' m(001)'</span><span class="p">,</span><span class="s">'7'</span> <span class="p">:</span><span class="s">'2/m(001)'</span><span class="p">,</span><span class="s">'134217728'</span> <span class="p">:</span><span class="s">' 2(011)'</span><span class="p">,</span>497 <span class="s">'67108864'</span> <span class="p">:</span><span class="s">' m(011)'</span><span class="p">,</span><span class="s">'201326593'</span> <span class="p">:</span><span class="s">'2/m(011)'</span><span class="p">,</span><span class="s">'2097152'</span> <span class="p">:</span><span class="s">' 2(0+-)'</span><span class="p">,</span><span class="s">'1048576'</span> <span class="p">:</span><span class="s">' m(0+-)'</span><span class="p">,</span>498 <span class="s">'3145729'</span> <span class="p">:</span><span class="s">'2/m(0+-)'</span><span class="p">,</span><span class="s">'8388608'</span> <span class="p">:</span><span class="s">' 2(101)'</span><span class="p">,</span><span class="s">'4194304'</span> <span class="p">:</span><span class="s">' m(101)'</span><span class="p">,</span><span class="s">'12582913'</span> <span class="p">:</span><span class="s">'2/m(101)'</span><span class="p">,</span>499 <span class="s">'524288'</span> <span class="p">:</span><span class="s">' 2(+0-)'</span><span class="p">,</span><span class="s">'262144'</span> <span class="p">:</span><span class="s">' m(+0-)'</span><span class="p">,</span><span class="s">'796433'</span> <span class="p">:</span><span class="s">'2/m(+0-)'</span><span class="p">,</span><span class="s">'1024'</span> <span class="p">:</span><span class="s">' 2(110)'</span><span class="p">,</span>500 <span class="s">'512'</span> <span class="p">:</span><span class="s">' m(110)'</span><span class="p">,</span><span class="s">'1537'</span> <span class="p">:</span><span class="s">'2/m(110)'</span><span class="p">,</span><span class="s">'256'</span> <span class="p">:</span><span class="s">' 2(+-0)'</span><span class="p">,</span><span class="s">'128'</span> <span class="p">:</span><span class="s">' m(+-0)'</span><span class="p">,</span>501 <span class="s">'385'</span> <span class="p">:</span><span class="s">'2/m(+-0)'</span><span class="p">,</span><span class="s">'76'</span> <span class="p">:</span><span class="s">' mm2(100)'</span><span class="p">,</span><span class="s">'52'</span> <span class="p">:</span><span class="s">'mm2(010)'</span><span class="p">,</span><span class="s">'42'</span> <span class="p">:</span><span class="s">'mm2(001)'</span><span class="p">,</span>502 <span class="s">'135266336'</span> <span class="p">:</span><span class="s">' mm2(011)'</span><span class="p">,</span><span class="s">'69206048'</span> <span class="p">:</span><span class="s">'mm2(0+-)'</span><span class="p">,</span><span class="s">'8650760'</span> <span class="p">:</span><span class="s">'mm2(101)'</span><span class="p">,</span><span class="s">'4718600'</span> <span class="p">:</span><span class="s">'mm2(+0-)'</span><span class="p">,</span>503 <span class="s">'1156'</span> <span class="p">:</span><span class="s">' mm2(110)'</span><span class="p">,</span><span class="s">'772'</span> <span class="p">:</span><span class="s">'mm2(+-0)'</span><span class="p">,</span><span class="s">'82'</span> <span class="p">:</span><span class="s">' 222 '</span><span class="p">,</span><span class="s">'136314944'</span> <span class="p">:</span><span class="s">'222(100)'</span><span class="p">,</span>504 <span class="s">'8912912'</span> <span class="p">:</span><span class="s">' 222(010)'</span><span class="p">,</span><span class="s">'1282'</span> <span class="p">:</span><span class="s">'222(001)'</span><span class="p">,</span><span class="s">'127'</span> <span class="p">:</span><span class="s">' mmm '</span><span class="p">,</span><span class="s">'204472417'</span> <span class="p">:</span><span class="s">'mmm(100)'</span><span class="p">,</span>505 <span class="s">'13369369'</span> <span class="p">:</span><span class="s">' mmm(010)'</span><span class="p">,</span><span class="s">'1927'</span> <span class="p">:</span><span class="s">'mmm(001)'</span><span class="p">,</span><span class="s">'33554496'</span> <span class="p">:</span><span class="s">' 4(100)'</span><span class="p">,</span><span class="s">'16777280'</span> <span class="p">:</span><span class="s">' -4(100)'</span><span class="p">,</span>499 <span class="s">'0'</span> <span class="p">:</span><span class="s">' 1 '</span><span class="p">,</span><span class="s">'1'</span> <span class="p">:</span><span class="s">' -1 '</span><span class="p">,</span><span class="s">'64'</span> <span class="p">:</span><span class="s">' 2(x)'</span><span class="p">,</span><span class="s">'32'</span> <span class="p">:</span><span class="s">' m(x)'</span><span class="p">,</span> 500 <span class="s">'97'</span> <span class="p">:</span><span class="s">' 2/m(x)'</span><span class="p">,</span><span class="s">'16'</span> <span class="p">:</span><span class="s">' 2(y)'</span><span class="p">,</span><span class="s">'8'</span> <span class="p">:</span><span class="s">' m(y)'</span><span class="p">,</span><span class="s">'25'</span> <span class="p">:</span><span class="s">' 2/m(y)'</span><span class="p">,</span> 501 <span class="s">'2'</span> <span class="p">:</span><span class="s">' 2(z)'</span><span class="p">,</span><span class="s">'4'</span> <span class="p">:</span><span class="s">' m(z)'</span><span class="p">,</span><span class="s">'7'</span> <span class="p">:</span><span class="s">' 2/m(z)'</span><span class="p">,</span><span class="s">'134217728'</span> <span class="p">:</span><span class="s">' 2(yz)'</span><span class="p">,</span> 502 <span class="s">'67108864'</span> <span class="p">:</span><span class="s">' m(yz)'</span><span class="p">,</span><span class="s">'201326593'</span> <span class="p">:</span><span class="s">' 2/m(yz)'</span><span class="p">,</span><span class="s">'2097152'</span> <span class="p">:</span><span class="s">' 2(0+-)'</span><span class="p">,</span><span class="s">'1048576'</span> <span class="p">:</span><span class="s">' m(0+-)'</span><span class="p">,</span> 503 <span class="s">'3145729'</span> <span class="p">:</span><span class="s">'2/m(0+-)'</span><span class="p">,</span><span class="s">'8388608'</span> <span class="p">:</span><span class="s">' 2(xz)'</span><span class="p">,</span><span class="s">'4194304'</span> <span class="p">:</span><span class="s">' m(xz)'</span><span class="p">,</span><span class="s">'12582913'</span> <span class="p">:</span><span class="s">' 2/m(xz)'</span><span class="p">,</span> 504 <span class="s">'524288'</span> <span class="p">:</span><span class="s">' 2(+0-)'</span><span class="p">,</span><span class="s">'262144'</span> <span class="p">:</span><span class="s">' m(+0-)'</span><span class="p">,</span><span class="s">'796433'</span> <span class="p">:</span><span class="s">'2/m(+0-)'</span><span class="p">,</span><span class="s">'1024'</span> <span class="p">:</span><span class="s">' 2(xy)'</span><span class="p">,</span> 505 <span class="s">'512'</span> <span class="p">:</span><span class="s">' m(xy)'</span><span class="p">,</span><span class="s">'1537'</span> <span class="p">:</span><span class="s">' 2/m(xy)'</span><span class="p">,</span><span class="s">'256'</span> <span class="p">:</span><span class="s">' 2(+-0)'</span><span class="p">,</span><span class="s">'128'</span> <span class="p">:</span><span class="s">' m(+-0)'</span><span class="p">,</span> 506 <span class="s">'385'</span> <span class="p">:</span><span class="s">'2/m(+-0)'</span><span class="p">,</span><span class="s">'76'</span> <span class="p">:</span><span class="s">' mm2(x)'</span><span class="p">,</span><span class="s">'52'</span> <span class="p">:</span><span class="s">' mm2(y)'</span><span class="p">,</span><span class="s">'42'</span> <span class="p">:</span><span class="s">' mm2(z)'</span><span class="p">,</span> 507 <span class="s">'135266336'</span> <span class="p">:</span><span class="s">' mm2(yz)'</span><span class="p">,</span><span class="s">'69206048'</span> <span class="p">:</span><span class="s">'mm2(0+-)'</span><span class="p">,</span><span class="s">'8650760'</span> <span class="p">:</span><span class="s">' mm2(xz)'</span><span class="p">,</span><span class="s">'4718600'</span> <span class="p">:</span><span class="s">'mm2(+0-)'</span><span class="p">,</span> 508 <span class="s">'1156'</span> <span class="p">:</span><span class="s">' mm2(xy)'</span><span class="p">,</span><span class="s">'772'</span> <span class="p">:</span><span class="s">'mm2(+-0)'</span><span class="p">,</span><span class="s">'82'</span> <span class="p">:</span><span class="s">' 222 '</span><span class="p">,</span><span class="s">'136314944'</span> <span class="p">:</span><span class="s">' 222(x)'</span><span class="p">,</span> 509 <span class="s">'8912912'</span> <span class="p">:</span><span class="s">' 222(y)'</span><span class="p">,</span><span class="s">'1282'</span> <span class="p">:</span><span class="s">' 222(z)'</span><span class="p">,</span><span class="s">'127'</span> <span class="p">:</span><span class="s">' mmm '</span><span class="p">,</span><span class="s">'204472417'</span> <span class="p">:</span><span class="s">' mmm(x)'</span><span class="p">,</span> 510 <span class="s">'13369369'</span> <span class="p">:</span><span class="s">' mmm(y)'</span><span class="p">,</span><span class="s">'1927'</span> <span class="p">:</span><span class="s">' mmm(z)'</span><span class="p">,</span><span class="s">'33554496'</span> <span class="p">:</span><span class="s">' 4(100)'</span><span class="p">,</span><span class="s">'16777280'</span> <span class="p">:</span><span class="s">' -4(100)'</span><span class="p">,</span> 506 511 <span class="s">'50331745'</span> <span class="p">:</span><span class="s">'4/m(100)'</span><span class="p">,</span><span class="s">'169869394'</span> <span class="p">:</span><span class="s">'422(100)'</span><span class="p">,</span><span class="s">'84934738'</span> <span class="p">:</span><span class="s">'-42m 100'</span><span class="p">,</span><span class="s">'101711948'</span> <span class="p">:</span><span class="s">'4mm(100)'</span><span class="p">,</span> 507 512 <span class="s">'254804095'</span> <span class="p">:</span><span class="s">'4/mmm100'</span><span class="p">,</span><span class="s">'536870928 '</span><span class="p">:</span><span class="s">' 4(010)'</span><span class="p">,</span><span class="s">'268435472'</span> <span class="p">:</span><span class="s">' -4(010)'</span><span class="p">,</span><span class="s">'805306393'</span> <span class="p">:</span><span class="s">'4/m (10)'</span><span class="p">,</span> … … 536 541 <span class="s">'Needs a doc string'</span> 537 542 <span class="n">NXUPQsym</span> <span class="o">=</span> <span class="p">{</span> 538 <span class="s">' 1 '</span><span class="p">:(</span><span class="mi">28</span><span class="p">,</span><span class="mi">29</span><span class="p">,</span><span class="mi">28</span><span class="p">,</span><span class="mi">28</span><span class="p">),</span><span class="s">' -1 '</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">29</span><span class="p">,</span><span class="mi">28</span><span class="p">,</span> <span class="mi">0</span><span class="p">),</span><span class="s">' 2(100)'</span><span class="p">:(</span><span class="mi">12</span><span class="p">,</span><span class="mi">18</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span><span class="mi">25</span><span class="p">),</span><span class="s">' m(100)'</span><span class="p">:(</span><span class="mi">25</span><span class="p">,</span><span class="mi">18</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span><span class="mi">25</span><span class="p">),</span>539 <span class="s">' 2/m(100)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">18</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 2(010)'</span><span class="p">:(</span><span class="mi">13</span><span class="p">,</span><span class="mi">17</span><span class="p">,</span><span class="mi">13</span><span class="p">,</span><span class="mi">24</span><span class="p">),</span><span class="s">' m(010)'</span><span class="p">:(</span><span class="mi">24</span><span class="p">,</span><span class="mi">17</span><span class="p">,</span><span class="mi">13</span><span class="p">,</span><span class="mi">24</span><span class="p">),</span><span class="s">'2/m(010)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">17</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span>540 <span class="s">' 2(001)'</span><span class="p">:(</span><span class="mi">14</span><span class="p">,</span><span class="mi">16</span><span class="p">,</span><span class="mi">14</span><span class="p">,</span><span class="mi">23</span><span class="p">),</span><span class="s">' m(001)'</span><span class="p">:(</span><span class="mi">23</span><span class="p">,</span><span class="mi">16</span><span class="p">,</span><span class="mi">14</span><span class="p">,</span><span class="mi">23</span><span class="p">),</span><span class="s">'2/m(001)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">16</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 2(011)'</span><span class="p">:(</span><span class="mi">10</span><span class="p">,</span><span class="mi">23</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="mi">22</span><span class="p">),</span>541 <span class="s">' m(011)'</span><span class="p">:(</span><span class="mi">22</span><span class="p">,</span><span class="mi">23</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="mi">22</span><span class="p">),</span><span class="s">'2/m(011)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">23</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 2(0+-)'</span><span class="p">:(</span><span class="mi">11</span><span class="p">,</span><span class="mi">24</span><span class="p">,</span><span class="mi">11</span><span class="p">,</span><span class="mi">21</span><span class="p">),</span><span class="s">' m(0+-)'</span><span class="p">:(</span><span class="mi">21</span><span class="p">,</span><span class="mi">24</span><span class="p">,</span><span class="mi">11</span><span class="p">,</span><span class="mi">21</span><span class="p">),</span>542 <span class="s">'2/m(0+-)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">24</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 2(101)'</span><span class="p">:(</span> <span class="mi">8</span><span class="p">,</span><span class="mi">21</span><span class="p">,</span> <span class="mi">8</span><span class="p">,</span><span class="mi">20</span><span class="p">),</span><span class="s">' m(101)'</span><span class="p">:(</span><span class="mi">20</span><span class="p">,</span><span class="mi">21</span><span class="p">,</span> <span class="mi">8</span><span class="p">,</span><span class="mi">20</span><span class="p">),</span><span class="s">'2/m(101)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">21</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span>543 <span class="s">' 2(+0-)'</span><span class="p">:(</span> <span class="mi">9</span><span class="p">,</span><span class="mi">22</span><span class="p">,</span> <span class="mi">9</span><span class="p">,</span><span class="mi">19</span><span class="p">),</span><span class="s">' m(+0-)'</span><span class="p">:(</span><span class="mi">19</span><span class="p">,</span><span class="mi">22</span><span class="p">,</span> <span class="mi">9</span><span class="p">,</span><span class="mi">19</span><span class="p">),</span><span class="s">'2/m(+0-)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">22</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 2(110)'</span><span class="p">:(</span> <span class="mi">6</span><span class="p">,</span><span class="mi">19</span><span class="p">,</span> <span class="mi">6</span><span class="p">,</span><span class="mi">18</span><span class="p">),</span>544 <span class="s">' m(110)'</span><span class="p">:(</span><span class="mi">18</span><span class="p">,</span><span class="mi">19</span><span class="p">,</span> <span class="mi">6</span><span class="p">,</span><span class="mi">18</span><span class="p">),</span><span class="s">'2/m(110)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">19</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 2(+-0)'</span><span class="p">:(</span> <span class="mi">7</span><span class="p">,</span><span class="mi">20</span><span class="p">,</span> <span class="mi">7</span><span class="p">,</span><span class="mi">17</span><span class="p">),</span><span class="s">' m(+-0)'</span><span class="p">:(</span><span class="mi">17</span><span class="p">,</span><span class="mi">20</span><span class="p">,</span> <span class="mi">7</span><span class="p">,</span><span class="mi">17</span><span class="p">),</span>545 <span class="s">'2/m(+-0)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">20</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' mm2(100)'</span><span class="p">:(</span><span class="mi">12</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">'mm2(010)'</span><span class="p">:(</span><span class="mi">13</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">'mm2(001)'</span><span class="p">:(</span><span class="mi">14</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span>546 <span class="s">' mm2(011)'</span><span class="p">:(</span><span class="mi">10</span><span class="p">,</span><span class="mi">13</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">'mm2(0+-)'</span><span class="p">:(</span><span class="mi">11</span><span class="p">,</span><span class="mi">13</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">'mm2(101)'</span><span class="p">:(</span> <span class="mi">8</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">'mm2(+0-)'</span><span class="p">:(</span> <span class="mi">9</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span>547 <span class="s">' mm2(110)'</span><span class="p">:(</span> <span class="mi">6</span><span class="p">,</span><span class="mi">11</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">'mm2(+-0)'</span><span class="p">:(</span> <span class="mi">7</span><span class="p">,</span><span class="mi">11</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 222 '</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">'222(100)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">13</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span>548 <span class="s">' 222(010)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">'222(001)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">11</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' mmm '</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">'mmm(100)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">13</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span>549 <span class="s">' mmm(010)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">'mmm(001)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">11</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 4(100)'</span><span class="p">:(</span><span class="mi">12</span><span class="p">,</span> <span class="mi">4</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span> <span class="mi">0</span><span class="p">),</span><span class="s">' -4(100)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span> <span class="mi">4</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span> <span class="mi">0</span><span class="p">),</span>543 <span class="s">' 1 '</span><span class="p">:(</span><span class="mi">28</span><span class="p">,</span><span class="mi">29</span><span class="p">,</span><span class="mi">28</span><span class="p">,</span><span class="mi">28</span><span class="p">),</span><span class="s">' -1 '</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">29</span><span class="p">,</span><span class="mi">28</span><span class="p">,</span> <span class="mi">0</span><span class="p">),</span><span class="s">' 2(x)'</span><span class="p">:(</span><span class="mi">12</span><span class="p">,</span><span class="mi">18</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span><span class="mi">25</span><span class="p">),</span><span class="s">' m(x)'</span><span class="p">:(</span><span class="mi">25</span><span class="p">,</span><span class="mi">18</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span><span class="mi">25</span><span class="p">),</span> 544 <span class="s">' 2/m(x)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">18</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 2(y)'</span><span class="p">:(</span><span class="mi">13</span><span class="p">,</span><span class="mi">17</span><span class="p">,</span><span class="mi">13</span><span class="p">,</span><span class="mi">24</span><span class="p">),</span><span class="s">' m(y)'</span><span class="p">:(</span><span class="mi">24</span><span class="p">,</span><span class="mi">17</span><span class="p">,</span><span class="mi">13</span><span class="p">,</span><span class="mi">24</span><span class="p">),</span><span class="s">' 2/m(y)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">17</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span> 545 <span class="s">' 2(z)'</span><span class="p">:(</span><span class="mi">14</span><span class="p">,</span><span class="mi">16</span><span class="p">,</span><span class="mi">14</span><span class="p">,</span><span class="mi">23</span><span class="p">),</span><span class="s">' m(z)'</span><span class="p">:(</span><span class="mi">23</span><span class="p">,</span><span class="mi">16</span><span class="p">,</span><span class="mi">14</span><span class="p">,</span><span class="mi">23</span><span class="p">),</span><span class="s">' 2/m(z)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">16</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 2(yz)'</span><span class="p">:(</span><span class="mi">10</span><span class="p">,</span><span class="mi">23</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="mi">22</span><span class="p">),</span> 546 <span class="s">' m(yz)'</span><span class="p">:(</span><span class="mi">22</span><span class="p">,</span><span class="mi">23</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="mi">22</span><span class="p">),</span><span class="s">' 2/m(yz)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">23</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 2(0+-)'</span><span class="p">:(</span><span class="mi">11</span><span class="p">,</span><span class="mi">24</span><span class="p">,</span><span class="mi">11</span><span class="p">,</span><span class="mi">21</span><span class="p">),</span><span class="s">' m(0+-)'</span><span class="p">:(</span><span class="mi">21</span><span class="p">,</span><span class="mi">24</span><span class="p">,</span><span class="mi">11</span><span class="p">,</span><span class="mi">21</span><span class="p">),</span> 547 <span class="s">'2/m(0+-)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">24</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 2(xz)'</span><span class="p">:(</span> <span class="mi">8</span><span class="p">,</span><span class="mi">21</span><span class="p">,</span> <span class="mi">8</span><span class="p">,</span><span class="mi">20</span><span class="p">),</span><span class="s">' m(xz)'</span><span class="p">:(</span><span class="mi">20</span><span class="p">,</span><span class="mi">21</span><span class="p">,</span> <span class="mi">8</span><span class="p">,</span><span class="mi">20</span><span class="p">),</span><span class="s">' 2/m(xz)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">21</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span> 548 <span class="s">' 2(+0-)'</span><span class="p">:(</span> <span class="mi">9</span><span class="p">,</span><span class="mi">22</span><span class="p">,</span> <span class="mi">9</span><span class="p">,</span><span class="mi">19</span><span class="p">),</span><span class="s">' m(+0-)'</span><span class="p">:(</span><span class="mi">19</span><span class="p">,</span><span class="mi">22</span><span class="p">,</span> <span class="mi">9</span><span class="p">,</span><span class="mi">19</span><span class="p">),</span><span class="s">'2/m(+0-)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">22</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 2(xy)'</span><span class="p">:(</span> <span class="mi">6</span><span class="p">,</span><span class="mi">19</span><span class="p">,</span> <span class="mi">6</span><span class="p">,</span><span class="mi">18</span><span class="p">),</span> 549 <span class="s">' m(xy)'</span><span class="p">:(</span><span class="mi">18</span><span class="p">,</span><span class="mi">19</span><span class="p">,</span> <span class="mi">6</span><span class="p">,</span><span class="mi">18</span><span class="p">),</span><span class="s">' 2/m(xy)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">19</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 2(+-0)'</span><span class="p">:(</span> <span class="mi">7</span><span class="p">,</span><span class="mi">20</span><span class="p">,</span> <span class="mi">7</span><span class="p">,</span><span class="mi">17</span><span class="p">),</span><span class="s">' m(+-0)'</span><span class="p">:(</span><span class="mi">17</span><span class="p">,</span><span class="mi">20</span><span class="p">,</span> <span class="mi">7</span><span class="p">,</span><span class="mi">17</span><span class="p">),</span> 550 <span class="s">'2/m(+-0)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">20</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' mm2(x)'</span><span class="p">:(</span><span class="mi">12</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' mm2(y)'</span><span class="p">:(</span><span class="mi">13</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' mm2(z)'</span><span class="p">:(</span><span class="mi">14</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span> 551 <span class="s">' mm2(yz)'</span><span class="p">:(</span><span class="mi">10</span><span class="p">,</span><span class="mi">13</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">'mm2(0+-)'</span><span class="p">:(</span><span class="mi">11</span><span class="p">,</span><span class="mi">13</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' mm2(xz)'</span><span class="p">:(</span> <span class="mi">8</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">'mm2(+0-)'</span><span class="p">:(</span> <span class="mi">9</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span> 552 <span class="s">' mm2(xy)'</span><span class="p">:(</span> <span class="mi">6</span><span class="p">,</span><span class="mi">11</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">'mm2(+-0)'</span><span class="p">:(</span> <span class="mi">7</span><span class="p">,</span><span class="mi">11</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 222 '</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 222(x)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">13</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span> 553 <span class="s">' 222(y)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 222(z)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">11</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' mmm '</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' mmm(x)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">13</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span> 554 <span class="s">' mmm(y)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' mmm(z)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span><span class="mi">11</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 4(100)'</span><span class="p">:(</span><span class="mi">12</span><span class="p">,</span> <span class="mi">4</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span> <span class="mi">0</span><span class="p">),</span><span class="s">' -4(100)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span> <span class="mi">4</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span> <span class="mi">0</span><span class="p">),</span> 550 555 <span class="s">'4/m(100)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span> <span class="mi">4</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">'422(100)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span> <span class="mi">4</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">'-42m 100'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span> <span class="mi">4</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">'4mm(100)'</span><span class="p">:(</span><span class="mi">12</span><span class="p">,</span> <span class="mi">4</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span> 551 556 <span class="s">'4/mmm100'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span> <span class="mi">4</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span><span class="s">' 4(010)'</span><span class="p">:(</span><span class="mi">13</span><span class="p">,</span> <span class="mi">3</span><span class="p">,</span><span class="mi">13</span><span class="p">,</span> <span class="mi">0</span><span class="p">),</span><span class="s">' -4(010)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span> <span class="mi">3</span><span class="p">,</span><span class="mi">13</span><span class="p">,</span> <span class="mi">0</span><span class="p">),</span><span class="s">'4/m (10)'</span><span class="p">:(</span> <span class="mi">1</span><span class="p">,</span> <span class="mi">3</span><span class="p">,</span><span class="mi">13</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">),</span> … … 580 585 <span class="s">'Needs a doc string'</span> 581 586 <span class="n">CSxinel</span> <span class="o">=</span> <span class="p">[[],</span> <span class="c"># 0th empty - indices are Fortran style</span> 582 <span class="p">[[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">]],</span> <span class="c"># 0 0 0</span>583 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c"># X X X</span>584 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">]],</span> <span class="c"># X X -X</span>585 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c"># X -X X</span>586 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">]],</span> <span class="c"># -X X X</span>587 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">]],</span> <span class="c"># X X 0</span>588 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">]],</span> <span class="c"># X -X 0</span>589 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c"># X 0 X</span>590 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">]],</span> <span class="c"># X 0 -X</span>591 <span class="p">[[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c"># 0 Y Y</span>592 <span class="p">[[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">]],</span> <span class="c"># 593 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">]],</span> <span class="c"># X 0 0</span>594 <span class="p">[[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">]],</span> <span class="c"># 0 Y 0</span>595 <span class="p">[[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c"># 0 0 Z</span>596 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">2.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">]],</span> <span class="c"># X 2X 0</span>597 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">2.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">]],</span> <span class="c"># 2X X 0</span>598 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c"># X X Z</span>599 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c"># X -X Z</span>600 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c"># X Y X</span>601 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">]],</span> <span class="c"># X Y -X</span>602 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c"># X Y Y</span>603 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">]],</span> <span class="c"># X Y -Y</span>604 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">]],</span> <span class="c"># X Y 0</span>605 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c"># X 0 Z</span>606 <span class="p">[[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c"># 0 Y Z</span>607 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">2.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c"># X 2X Z</span>608 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">2.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c"># 2X X Z</span>609 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c"># X Y Z</span>587 <span class="p">[[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">]],</span> <span class="c">#1 0 0 0</span> 588 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c">#2 X X X</span> 589 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">]],</span> <span class="c">#3 X X -X</span> 590 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c">#4 X -X X</span> 591 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">]],</span> <span class="c">#5 -X X X</span> 592 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">]],</span> <span class="c">#6 X X 0</span> 593 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">]],</span> <span class="c">#7 X -X 0</span> 594 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c">#8 X 0 X</span> 595 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">]],</span> <span class="c">#9 X 0 -X</span> 596 <span class="p">[[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c">#10 0 Y Y</span> 597 <span class="p">[[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">]],</span> <span class="c">#11 0 Y -Y</span> 598 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">]],</span> <span class="c">#12 X 0 0</span> 599 <span class="p">[[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">]],</span> <span class="c">#13 0 Y 0</span> 600 <span class="p">[[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c">#14 0 0 Z</span> 601 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">2.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">]],</span> <span class="c">#15 X 2X 0</span> 602 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">2.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">]],</span> <span class="c">#16 2X X 0</span> 603 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c">#17 X X Z</span> 604 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c">#18 X -X Z</span> 605 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c">#19 X Y X</span> 606 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">]],</span> <span class="c">#20 X Y -X</span> 607 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c">#21 X Y Y</span> 608 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">]],</span> <span class="c">#22 X Y -Y</span> 609 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">]],</span> <span class="c">#23 X Y 0</span> 610 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c">#24 X 0 Z</span> 611 <span class="p">[[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c">#25 0 Y Z</span> 612 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">2.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c">#26 X 2X Z</span> 613 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">2.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c">#27 2X X Z</span> 614 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">]],</span> <span class="c">#28 X Y Z</span> 610 615 <span class="p">]</span> 611 616 <span class="n">indx</span> <span class="o">=</span> <span class="n">GetNXUPQsym</span><span class="p">(</span><span class="n">siteSym</span><span class="p">)</span> … … 615 620 <span class="s">"returns Uij terms, multipliers, GUI flags & Uiso2Uij multipliers"</span> 616 621 <span class="n">CSuinel</span> <span class="o">=</span> <span class="p">[[],</span> <span class="c"># 0th empty - indices are Fortran style</span> 617 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A A A 0 0 0</span>618 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A A C 0 0 0</span>619 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B A 0 0 0</span>620 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B B 0 0 0</span>621 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A A A D D D</span>622 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A A A D -D -D</span>623 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A A A D -D D</span>624 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A A A D D -D</span>625 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.5</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A A C A/2 0 0</span>626 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B C 0 0 0</span>627 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A A C D 0 0</span>628 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B A 0 E 0</span>629 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">3</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B B 0 0 F</span>630 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.5</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B C B/2 0 0</span>631 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.5</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B C A/2 0 0</span>632 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B C D 0 0</span>633 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B C 0 E 0</span>634 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">4</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B C 0 0 F</span>635 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">4</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A A C D E -E</span>636 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">4</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A A C D E E</span>637 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">3</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B A D E -D</span>638 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">3</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B A D E D</span>639 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B B D -D F</span>640 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B B D D F</span>641 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">4</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.5</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B C B/2 F/2 F</span>642 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">4</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.5</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B C A/2 0 F</span>643 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.5</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B C B/2 E 0</span>644 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">4</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.5</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B C A/2 E E/2</span>645 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="mi">6</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c"># A B C D E F</span>622 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#1 A A A 0 0 0</span> 623 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#2 A A C 0 0 0</span> 624 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#3 A B A 0 0 0</span> 625 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#4 A B B 0 0 0</span> 626 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#5 A A A D D D</span> 627 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#6 A A A D -D -D</span> 628 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#7 A A A D -D D</span> 629 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#8 A A A D D -D</span> 630 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.5</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#9 A A C A/2 0 0</span> 631 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#10 A B C 0 0 0</span> 632 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#11 A A C D 0 0</span> 633 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#12 A B A 0 E 0</span> 634 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">3</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#13 A B B 0 0 F</span> 635 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.5</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#14 A B C B/2 0 0</span> 636 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.5</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#15 A B C A/2 0 0</span> 637 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#16 A B C D 0 0</span> 638 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#17 A B C 0 E 0</span> 639 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">4</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#18 A B C 0 0 F</span> 640 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">4</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#19 A A C D E -E</span> 641 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">4</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#20 A A C D E E</span> 642 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">3</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#21 A B A D E -D</span> 643 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">3</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#22 A B A D E D</span> 644 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span><span class="o">-</span><span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#23 A B B D -D F</span> 645 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#24 A B B D D F</span> 646 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">4</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.5</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#25 A B C B/2 F/2 F</span> 647 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">4</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.5</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#26 A B C A/2 0 F</span> 648 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.5</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#27 A B C B/2 E 0</span> 649 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">4</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">0.5</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.5</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#28 A B C A/2 E E/2</span> 650 <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="mi">6</span><span class="p">],[</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">]],</span> <span class="c">#29 A B C D E F</span> 646 651 <span class="p">]</span> 647 652 <span class="n">indx</span> <span class="o">=</span> <span class="n">GetNXUPQsym</span><span class="p">(</span><span class="n">siteSym</span><span class="p">)</span> … … 780 785 </div> 781 786 <div class="viewcode-block" id="Muiso2Shkl"><a class="viewcode-back" href="../GSASIIutil.html#GSASIIspc.Muiso2Shkl">[docs]</a><span class="k">def</span> <span class="nf">Muiso2Shkl</span><span class="p">(</span><span class="n">muiso</span><span class="p">,</span><span class="n">SGData</span><span class="p">,</span><span class="n">cell</span><span class="p">):</span> 782 <span class="s">"this is to convert isotropic mustrain to generalized Shkls - doesn't work just now"</span>787 <span class="s">"this is to convert isotropic mustrain to generalized Shkls"</span> 783 788 <span class="kn">import</span> <span class="nn">GSASIIlattice</span> <span class="kn">as</span> <span class="nn">G2lat</span> 784 <span class="kn">from</span> <span class="nn">scipy.optimize</span> <span class="kn">import</span> <span class="n">fmin</span>785 789 <span class="n">A</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">cell2AB</span><span class="p">(</span><span class="n">cell</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span> 786 <span class="k">def</span> <span class="nf">minMus</span><span class="p">(</span><span class="n">Shkl</span><span class="p">,</span><span class="n">H</span><span class="p">,</span><span class="n">muiso</span><span class="p">,</span><span class="n">SGData</span><span class="p">,</span><span class="n">A</span><span class="p">):</span> 790 791 <span class="k">def</span> <span class="nf">minMus</span><span class="p">(</span><span class="n">Shkl</span><span class="p">,</span><span class="n">muiso</span><span class="p">,</span><span class="n">H</span><span class="p">,</span><span class="n">SGData</span><span class="p">,</span><span class="n">A</span><span class="p">):</span> 787 792 <span class="n">U</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">inner</span><span class="p">(</span><span class="n">A</span><span class="o">.</span><span class="n">T</span><span class="p">,</span><span class="n">H</span><span class="p">)</span> 788 <span class="n">S</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">MustrainCoeff</span><span class="p">(</span><span class="n">H</span><span class="o">.</span><span class="n">T</span><span class="p">,</span><span class="n">SGData</span><span class="p">))</span> 789 <span class="nb">sum</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">sqrt</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">multiply</span><span class="p">(</span><span class="n">S</span><span class="p">,</span><span class="n">Shkl</span><span class="p">)))</span> 790 <span class="k">return</span> <span class="nb">abs</span><span class="p">(</span><span class="n">muiso</span><span class="o">-</span><span class="nb">sum</span><span class="o">*</span><span class="n">H</span><span class="p">)</span> 793 <span class="n">S</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">MustrainCoeff</span><span class="p">(</span><span class="n">U</span><span class="p">,</span><span class="n">SGData</span><span class="p">))</span> 794 <span class="n">Sum</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">sqrt</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">multiply</span><span class="p">(</span><span class="n">S</span><span class="p">,</span><span class="n">Shkl</span><span class="p">[:,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">]),</span><span class="n">axis</span><span class="o">=</span><span class="mi">0</span><span class="p">))</span> 795 <span class="n">rad</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">sqrt</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">sum</span><span class="p">((</span><span class="n">Sum</span><span class="p">[:,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">]</span><span class="o">*</span><span class="n">H</span><span class="p">)</span><span class="o">**</span><span class="mi">2</span><span class="p">,</span><span class="n">axis</span><span class="o">=</span><span class="mi">1</span><span class="p">))</span> 796 <span class="k">return</span> <span class="p">(</span><span class="n">muiso</span><span class="o">-</span><span class="n">rad</span><span class="p">)</span><span class="o">**</span><span class="mi">2</span> 797 791 798 <span class="n">laue</span> <span class="o">=</span> <span class="n">SGData</span><span class="p">[</span><span class="s">'SGLaue'</span><span class="p">]</span> 799 <span class="n">PHI</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">linspace</span><span class="p">(</span><span class="mf">0.</span><span class="p">,</span><span class="mf">360.</span><span class="p">,</span><span class="mi">60</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span> 800 <span class="n">PSI</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">linspace</span><span class="p">(</span><span class="mf">0.</span><span class="p">,</span><span class="mf">180.</span><span class="p">,</span><span class="mi">60</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span> 801 <span class="n">X</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">outer</span><span class="p">(</span><span class="n">npsind</span><span class="p">(</span><span class="n">PHI</span><span class="p">),</span><span class="n">npsind</span><span class="p">(</span><span class="n">PSI</span><span class="p">))</span> 802 <span class="n">Y</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">outer</span><span class="p">(</span><span class="n">npcosd</span><span class="p">(</span><span class="n">PHI</span><span class="p">),</span><span class="n">npsind</span><span class="p">(</span><span class="n">PSI</span><span class="p">))</span> 803 <span class="n">Z</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">outer</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">ones</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">size</span><span class="p">(</span><span class="n">PHI</span><span class="p">)),</span><span class="n">npcosd</span><span class="p">(</span><span class="n">PSI</span><span class="p">))</span> 804 <span class="n">HKL</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">dstack</span><span class="p">((</span><span class="n">X</span><span class="p">,</span><span class="n">Y</span><span class="p">,</span><span class="n">Z</span><span class="p">))</span> 792 805 <span class="k">if</span> <span class="n">laue</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'m3'</span><span class="p">,</span><span class="s">'m3m'</span><span class="p">]:</span> 793 <span class="n">H</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">]]</span> 794 <span class="n">S0</span> <span class="o">=</span> <span class="p">[</span><span class="mf">0.01</span><span class="p">,</span><span class="mf">0.01</span><span class="p">]</span> 806 <span class="n">S0</span> <span class="o">=</span> <span class="p">[</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">]</span> 795 807 <span class="k">elif</span> <span class="n">laue</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'6/m'</span><span class="p">,</span><span class="s">'6/mmm'</span><span class="p">,</span><span class="s">'3m1'</span><span class="p">]:</span> 796 <span class="n">H</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">]]</span> 797 <span class="n">S0</span> <span class="o">=</span> <span class="p">[</span><span class="mf">0.01</span><span class="p">,</span><span class="mf">0.01</span><span class="p">,</span><span class="mf">0.01</span><span class="p">]</span> 808 <span class="n">S0</span> <span class="o">=</span> <span class="p">[</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">]</span> 798 809 <span class="k">elif</span> <span class="n">laue</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'31m'</span><span class="p">,</span><span class="s">'3'</span><span class="p">]:</span> 799 <span class="n">H</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">]]</span> 800 <span class="n">S0</span> <span class="o">=</span> <span class="p">[</span><span class="mf">0.01</span><span class="p">,</span><span class="mf">0.01</span><span class="p">,</span><span class="mf">0.01</span><span class="p">,</span><span class="mf">0.01</span><span class="p">]</span> 810 <span class="n">S0</span> <span class="o">=</span> <span class="p">[</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">]</span> 801 811 <span class="k">elif</span> <span class="n">laue</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'3R'</span><span class="p">,</span><span class="s">'3mR'</span><span class="p">]:</span> 802 <span class="n">H</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">]]</span> 803 <span class="n">S0</span> <span class="o">=</span> <span class="p">[</span><span class="mf">0.01</span><span class="p">,</span><span class="mf">0.01</span><span class="p">,</span><span class="mf">0.01</span><span class="p">,</span><span class="mf">0.01</span><span class="p">]</span> 812 <span class="n">S0</span> <span class="o">=</span> <span class="p">[</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">]</span> 804 813 <span class="k">elif</span> <span class="n">laue</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'4/m'</span><span class="p">,</span><span class="s">'4/mmm'</span><span class="p">]:</span> 805 <span class="n">H</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">]]</span> 806 <span class="n">S0</span> <span class="o">=</span> <span class="p">[</span><span class="mf">0.01</span><span class="p">,</span><span class="mf">0.01</span><span class="p">,</span><span class="mf">0.01</span><span class="p">,</span><span class="mf">0.01</span><span class="p">]</span> 814 <span class="n">S0</span> <span class="o">=</span> <span class="p">[</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">]</span> 807 815 <span class="k">elif</span> <span class="n">laue</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'mmm'</span><span class="p">]:</span> 808 <span class="n">H</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">]]</span> 809 <span class="n">S0</span> <span class="o">=</span> <span class="p">[</span><span class="mf">0.01</span><span class="p">,</span><span class="mf">0.01</span><span class="p">,</span><span class="mf">0.01</span><span class="p">,</span><span class="mf">0.01</span><span class="p">,</span><span class="mf">0.01</span><span class="p">,</span><span class="mf">0.01</span><span class="p">]</span> 816 <span class="n">S0</span> <span class="o">=</span> <span class="p">[</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">]</span> 810 817 <span class="k">elif</span> <span class="n">laue</span> <span class="ow">in</span> <span class="p">[</span><span class="s">'2/m'</span><span class="p">]:</span> 811 <span class="n">H</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">]]</span> 812 <span class="k">if</span> <span class="n">uniq</span> <span class="o">==</span> <span class="s">'a'</span><span class="p">:</span> 813 <span class="n">H</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">])</span> 814 <span class="n">H</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">])</span> 815 <span class="k">elif</span> <span class="n">uniq</span> <span class="o">==</span> <span class="s">'b'</span><span class="p">:</span> 816 <span class="n">H</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">])</span> 817 <span class="n">H</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="o">-</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">])</span> 818 <span class="k">elif</span> <span class="n">uniq</span> <span class="o">==</span> <span class="s">'c'</span><span class="p">:</span> 819 <span class="n">H</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="mi">1</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">])</span> 820 <span class="n">H</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="o">-</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">])</span> 821 <span class="n">H</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">])</span> 822 <span class="n">S0</span> <span class="o">=</span> <span class="p">[</span><span class="mi">9</span><span class="o">*</span><span class="p">[</span><span class="mf">0.01</span><span class="p">,]]</span> 818 <span class="n">S0</span> <span class="o">=</span> <span class="p">[</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span> 823 819 <span class="k">else</span><span class="p">:</span> 824 <span class="n">H</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">],</span> 825 <span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="o">-</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">],[</span><span class="o">-</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="o">-</span><span class="mi">2</span><span class="p">],</span> 826 <span class="p">[</span><span class="mi">1</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">],[</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span> <span class="mi">1</span><span class="p">,</span> <span class="mi">1</span><span class="p">],[</span><span class="mi">1</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">]]</span> 827 <span class="n">S0</span> <span class="o">=</span> <span class="p">[</span><span class="mi">15</span><span class="o">*</span><span class="p">[</span><span class="mf">0.01</span><span class="p">,]]</span> 828 <span class="n">H</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">H</span><span class="p">)</span> 820 <span class="n">S0</span> <span class="o">=</span> <span class="p">[</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span> <span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span> 821 <span class="mf">1000.</span><span class="p">,</span><span class="mf">1000.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span> 829 822 <span class="n">S0</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">S0</span><span class="p">)</span> 830 <span class="k">return</span> <span class="n">fmin</span><span class="p">(</span><span class="n">minMus</span><span class="p">,</span><span class="n">S0</span><span class="p">,(</span><span class="n">H</span><span class="p">,</span><span class="n">muiso</span><span class="p">,</span><span class="n">SGData</span><span class="p">,</span><span class="n">A</span><span class="p">))</span> 823 <span class="n">HKL</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">reshape</span><span class="p">(</span><span class="n">HKL</span><span class="p">,(</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="mi">3</span><span class="p">))</span> 824 <span class="n">result</span> <span class="o">=</span> <span class="n">so</span><span class="o">.</span><span class="n">leastsq</span><span class="p">(</span><span class="n">minMus</span><span class="p">,</span><span class="n">S0</span><span class="p">,(</span><span class="n">np</span><span class="o">.</span><span class="n">ones</span><span class="p">(</span><span class="n">HKL</span><span class="o">.</span><span class="n">shape</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span><span class="o">*</span><span class="n">muiso</span><span class="p">,</span><span class="n">HKL</span><span class="p">,</span><span class="n">SGData</span><span class="p">,</span><span class="n">A</span><span class="p">))</span> 825 <span class="k">return</span> <span class="n">result</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> 831 826 </div> 832 827 <div class="viewcode-block" id="SytSym"><a class="viewcode-back" href="../GSASIIutil.html#GSASIIspc.SytSym">[docs]</a><span class="k">def</span> <span class="nf">SytSym</span><span class="p">(</span><span class="n">XYZ</span><span class="p">,</span><span class="n">SGData</span><span class="p">):</span> … … 1009 1004 <span class="k">def</span> <span class="nf">U2Uij</span><span class="p">(</span><span class="n">U</span><span class="p">):</span> 1010 1005 <span class="c">#returns the UIJ vector U11,U22,U33,U12,U13,U23 from tensor U</span> 1011 <span class="k">return</span> <span class="p">[</span><span class="n">U</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span><span class="n">U</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">1</span><span class="p">],</span><span class="n">U</span><span class="p">[</span><span class="mi">2</span><span class="p">][</span><span class="mi">2</span><span class="p">],</span><span class=" n">U</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="mi">1</span><span class="p">],</span><span class="n">U</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="mi">2</span><span class="p">],</span><span class="n">U</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">2</span><span class="p">]]</span>1006 <span class="k">return</span> <span class="p">[</span><span class="n">U</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span><span class="n">U</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">1</span><span class="p">],</span><span class="n">U</span><span class="p">[</span><span class="mi">2</span><span class="p">][</span><span class="mi">2</span><span class="p">],</span><span class="mf">2.</span><span class="o">*</span><span class="n">U</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="mi">1</span><span class="p">],</span><span class="mf">2.</span><span class="o">*</span><span class="n">U</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="mi">2</span><span class="p">],</span><span class="mf">2.</span><span class="o">*</span><span class="n">U</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="mi">2</span><span class="p">]]</span> 1012 1007 1013 1008 <span class="k">def</span> <span class="nf">Uij2U</span><span class="p">(</span><span class="n">Uij</span><span class="p">):</span> 1014 1009 <span class="c">#returns the thermal motion tensor U from Uij as numpy array</span> 1015 <span class="k">return</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">([[</span><span class="n">Uij</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">Uij</span><span class="p">[</span><span class="mi">3</span><span class="p">] ,</span><span class="n">Uij</span><span class="p">[</span><span class="mi">4</span><span class="p">]],[</span><span class="n">Uij</span><span class="p">[</span><span class="mi">3</span><span class="p">],</span><span class="n">Uij</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">Uij</span><span class="p">[</span><span class="mi">5</span><span class="p">]],[</span><span class="n">Uij</span><span class="p">[</span><span class="mi">4</span><span class="p">],</span><span class="n">Uij</span><span class="p">[</span><span class="mi">5</span><span class="p">],</span><span class="n">Uij</span><span class="p">[</span><span class="mi">2</span><span class="p">]]])</span>1010 <span class="k">return</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">([[</span><span class="n">Uij</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">Uij</span><span class="p">[</span><span class="mi">3</span><span class="p">]</span><span class="o">/</span><span class="mf">2.</span><span class="p">,</span><span class="n">Uij</span><span class="p">[</span><span class="mi">4</span><span class="p">]</span><span class="o">/</span><span class="mf">2.</span><span class="p">],[</span><span class="n">Uij</span><span class="p">[</span><span class="mi">3</span><span class="p">]</span><span class="o">/</span><span class="mf">2.</span><span class="p">,</span><span class="n">Uij</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">Uij</span><span class="p">[</span><span class="mi">5</span><span class="p">]</span><span class="o">/</span><span class="mf">2.</span><span class="p">],[</span><span class="n">Uij</span><span class="p">[</span><span class="mi">4</span><span class="p">]</span><span class="o">/</span><span class="mf">2.</span><span class="p">,</span><span class="n">Uij</span><span class="p">[</span><span class="mi">5</span><span class="p">]</span><span class="o">/</span><span class="mf">2.</span><span class="p">,</span><span class="n">Uij</span><span class="p">[</span><span class="mi">2</span><span class="p">]]])</span> 1016 1011 1017 1012 <div class="viewcode-block" id="StandardizeSpcName"><a class="viewcode-back" href="../GSASIIutil.html#GSASIIspc.StandardizeSpcName">[docs]</a><span class="k">def</span> <span class="nf">StandardizeSpcName</span><span class="p">(</span><span class="n">spcgroup</span><span class="p">):</span> … … 1368 1363 <div class="footer"> 1369 1364 © Copyright 2013, Von Dreele and Toby for Argonne National Laboratory. 1370 Created using <a href="http://sphinx .pocoo.org/">Sphinx</a> 1.1.2.1365 Created using <a href="http://sphinx-doc.org/">Sphinx</a> 1.2.2. 1371 1366 </div> 1372 1367 </body>
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