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package:ase:example_c2 [2022/11/04 10:33] pkaiserpackage:ase:example_c2 [2022/11/17 11:05] (current) pkaiser
Line 1: Line 1:
 <HTML> <HTML>
-<html> 
 <head><meta charset="utf-8" /> <head><meta charset="utf-8" />
  
Line 1586: Line 1585:
 } }
 .container { .container {
-  margin-right: auto;+  /* pmkchange margin-right: auto; */
   margin-left: auto;   margin-left: auto;
   padding-left: 0px;   padding-left: 0px;
   padding-right: 0px;   padding-right: 0px;
 +
 +
 } }
 @media (min-width: 768px) { @media (min-width: 768px) {
   .container {   .container {
-    width: 768px;+    width: 600px;
   }   }
 } }
 @media (min-width: 992px) { @media (min-width: 992px) {
   .container {   .container {
-    width: 940px;+    width: 675px;
   }   }
 } }
 @media (min-width: 1200px) { @media (min-width: 1200px) {
   .container {   .container {
-    width: 1140px;+    width: 725px;
   }   }
 } }
Line 9130: Line 9131:
 /* Flexible box model classes */ /* Flexible box model classes */
 /* Taken from Alex Russell http://infrequently.org/2009/08/css-3-progress/ */ /* Taken from Alex Russell http://infrequently.org/2009/08/css-3-progress/ */
-/* This file is a compatability layer.  It allows the usage of flexible box +/* This file is a compatability layer.  It allows the usage of flexible box
 model layouts accross multiple browsers, including older browsers.  The newest, model layouts accross multiple browsers, including older browsers.  The newest,
 universal implementation of the flexible box model is used when available (see universal implementation of the flexible box model is used when available (see
-`Modern browsers` comments below).  Browsers that are known to implement this +`Modern browsers` comments below).  Browsers that are known to implement this
 new spec completely include: new spec completely include:
  
     Firefox 28.0+     Firefox 28.0+
     Chrome 29.0+     Chrome 29.0+
-    Internet Explorer 11+ +    Internet Explorer 11+
     Opera 17.0+     Opera 17.0+
  
Line 10421: Line 10422:
   border-style: solid;   border-style: solid;
   border-color: transparent;   border-color: transparent;
-  width: 100%;+  width: 90%; /* pmkchange 100% - 90% */
   padding: 5px;   padding: 5px;
   /* This acts as a spacer between cells, that is outside the border */   /* This acts as a spacer between cells, that is outside the border */
Line 11432: Line 11433:
 @media not print { @media not print {
   #notebook-container {   #notebook-container {
-    padding: 15px;+    padding: 5px /* pmkchange 15px ->5 */
     background-color: #fff;     background-color: #fff;
     min-height: 0;     min-height: 0;
Line 12520: Line 12521:
   border-top: 1px solid #cfcfcf;   border-top: 1px solid #cfcfcf;
   border-bottom: 1px solid #cfcfcf;   border-bottom: 1px solid #cfcfcf;
-  /* This injects handle bars (a short, wide = symbol) for +  /* This injects handle bars (a short, wide = symbol) for
         the resize handle. */         the resize handle. */
 } }
Line 13034: Line 13035:
     display: block;     display: block;
     page-break-inside: avoid;     page-break-inside: avoid;
-  }  +  } 
-  div.output_wrapper { +  div.output_wrapper {
     display: block;     display: block;
-    page-break-inside: avoid; +    page-break-inside: avoid;
   }   }
-  div.output { +  div.output {
     display: block;     display: block;
-    page-break-inside: avoid; +    page-break-inside: avoid;
   }   }
 } }
Line 13520: Line 13521:
 <span class="kn">import</span> <span class="nn">AseCppawTools</span> <span class="kn">import</span> <span class="nn">AseCppawTools</span>
 <span class="n">h2o</span> <span class="o">=</span> <span class="n">molecule</span><span class="p">(</span><span class="s1">&#39;H2O&#39;</span><span class="p">)</span> <span class="n">h2o</span> <span class="o">=</span> <span class="n">molecule</span><span class="p">(</span><span class="s1">&#39;H2O&#39;</span><span class="p">)</span>
-<span class="n">cellparameter</span> <span class="o">=</span> <span class="n">AseCppawTools</span><span class="o">.</span><span class="n">makeLattice</span><span class="p">(</span><span class="n">celltype</span><span class="o">=</span><span class="s1">&#39;FACE CENTERED&#39;</span><span class="p">,</span> <span class="n">dist</span><span class="o">=</span><span class="mf">7.0</span><span class="p">,</span> <span class="n">filename</span><span class="o">=</span><span class="s1">&#39;h2o&#39;</span><span class="p">,</span> <span class="n">directory</span><span class="o">=</span><span class="n">path0</span><span class="p">,</span> +<span class="n">cellparameter</span> <span class="o">=</span> <span class="n">AseCppawTools</span><span class="o">.</span><span class="n">makeLattice</span><span class="p">(</span><span class="n">celltype</span><span class="o">=</span><span class="s1">&#39;FACE CENTERED&#39;</span><span class="p">,</span> <span class="n">dist</span><span class="o">=</span><span class="mf">7.0</span><span class="p">,</span> <span class="n">filename</span><span class="o">=</span><span class="s1">&#39;h2o&#39;</span><span class="p">,</span> <span class="n">directory</span><span class="o">=</span><span class="n">path0</span><span class="p">,</span>
                                           <span class="n">flags</span><span class="o">=</span><span class="s1">&#39;-c&#39;</span><span class="p">)</span>                                           <span class="n">flags</span><span class="o">=</span><span class="s1">&#39;-c&#39;</span><span class="p">)</span>
 <span class="n">h2o</span><span class="o">.</span><span class="n">set_cell</span><span class="p">(</span><span class="n">cellparameter</span><span class="p">[</span><span class="s1">&#39;cell&#39;</span><span class="p">])</span> <span class="n">h2o</span><span class="o">.</span><span class="n">set_cell</span><span class="p">(</span><span class="n">cellparameter</span><span class="p">[</span><span class="s1">&#39;cell&#39;</span><span class="p">])</span>
Line 14407: Line 14408:
 <div class="inner_cell"> <div class="inner_cell">
     <div class="input_area">     <div class="input_area">
-<div class=" highlight hl-ipython3"><pre><span></span> +<div class=" highlight hl-ipython3"><pre><span></span>
 </pre></div> </pre></div>
  
Line 14419: Line 14420:
 </body> </body>
  
-  
  
-</html>+
 </HTML> </HTML>
  
package/ase/example_c2.1667558032.txt.gz · Last modified: 2022/11/04 10:33 by pkaiser

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