Update to v0.6.3

hackingmaterials · May 4, 2020 · 28796b0 · 28796b0
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diff --git a/docs/_sources/changelog.rst.txt b/docs/_sources/changelog.rst.txt
@@ -5,6 +5,16 @@
 matminer Changelog
 ==================
 
+**v0.6.3**
+
+* add IntersticeDistribution featurizer (Q. Wang)
+* change Dimensionality featurizer to be more accurate (A. Ganose)
+* add CohesiveEnergyMP featurizer that gets MP cohesive energy from MP Rester (A. Jain)
+* default mp dataretrieval to decode mp entities by default (A. Dunn)
+* update dependencies and tests (A. Ganose)
+* misc fixes / documentation updates (Q. Wang, A. Dunn, A. Jain, L. Ward, S.P. Ong, A. Ganose)
+
+
 **v0.6.2**
 
 * Update forum to Discourse link (A. Ganose)

diff --git a/docs/_sources/dataset_summary.rst.txt b/docs/_sources/dataset_summary.rst.txt
@@ -2040,7 +2040,7 @@ url={http://dx.doi.org/10.1038/sdata.2018.65}
 ---------------
 matbench_steels
 ---------------
-Matbench v0.1 dataset for predicting steel yeild strengths from chemical composition alone. Retrieved from Citrine informatics. Deduplicated.
+Matbench v0.1 dataset for predicting steel yield strengths from chemical composition alone. Retrieved from Citrine informatics. Deduplicated.
 
 **Number of entries:** 312
 

diff --git a/docs/_sources/featurizer_summary.rst.txt b/docs/_sources/featurizer_summary.rst.txt
@@ -91,6 +91,8 @@ Features based on a material's composition.
      - Class to calculate fraction of magnetic transition metals in a composition.     
    * - :code:`CohesiveEnergy`
      - Cohesive energy per atom using elemental cohesive energies and     
+   * - :code:`CohesiveEnergyMP`
+     - Cohesive energy per atom lookup using Materials Project     
    * - :code:`Miedema`
      - Formation enthalpies of intermetallic compounds, from Miedema et al.     
    * - :code:`YangSolidSolution`
@@ -207,6 +209,8 @@ Features from individual sites in a material's crystal structure.
      - A local order parameter fingerprint for periodic crystals.     
    * - :code:`VoronoiFingerprint`
      - Voronoi tessellation-based features around target site.     
+   * - :code:`IntersticeDistribution`
+     - Interstice distribution in the neighboring cluster around an atom site.     
    * - :code:`ChemicalSRO`
      - Chemical short range ordering, deviation of local site and nominal structure compositions     
    * - :code:`GaussianSymmFunc`

diff --git a/docs/_static/documentation_options.js b/docs/_static/documentation_options.js
@@ -1,6 +1,6 @@
 var DOCUMENTATION_OPTIONS = {
     URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'),
-    VERSION: '0.6.2',
+    VERSION: '0.6.3',
     LANGUAGE: 'None',
     COLLAPSE_INDEX: false,
     FILE_SUFFIX: '.html',

diff --git a/docs/changelog.html b/docs/changelog.html
@@ -4,7 +4,7 @@
 <html xmlns="http://www.w3.org/1999/xhtml">
   <head>
     <meta charset="utf-8" />
-    <title>MatMiner Changelog &#8212; matminer 0.6.2 documentation</title>
+    <title>MatMiner Changelog &#8212; matminer 0.6.3 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
     <script type="text/javascript" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
@@ -27,7 +27,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.6.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.6.3 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -38,6 +38,15 @@ <h3>Navigation</h3>
 
   <div class="section" id="matminer-changelog">
 <h1>matminer Changelog<a class="headerlink" href="#matminer-changelog" title="Permalink to this headline">¶</a></h1>
+<p><strong>v0.6.3</strong></p>
+<ul class="simple">
+<li><p>add IntersticeDistribution featurizer (Q. Wang)</p></li>
+<li><p>change Dimensionality featurizer to be more accurate (A. Ganose)</p></li>
+<li><p>add CohesiveEnergyMP featurizer that gets MP cohesive energy from MP Rester (A. Jain)</p></li>
+<li><p>default mp dataretrieval to decode mp entities by default (A. Dunn)</p></li>
+<li><p>update dependencies and tests (A. Ganose)</p></li>
+<li><p>misc fixes / documentation updates (Q. Wang, A. Dunn, A. Jain, L. Ward, S.P. Ong, A. Ganose)</p></li>
+</ul>
 <p><strong>v0.6.2</strong></p>
 <ul class="simple">
 <li><p>Update forum to Discourse link (A. Ganose)</p></li>
@@ -471,7 +480,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.6.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.6.3 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/contributors.html b/docs/contributors.html
@@ -4,7 +4,7 @@
 <html xmlns="http://www.w3.org/1999/xhtml">
   <head>
     <meta charset="utf-8" />
-    <title>MatMiner Contributors &#8212; matminer 0.6.2 documentation</title>
+    <title>MatMiner Contributors &#8212; matminer 0.6.3 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
     <script type="text/javascript" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
@@ -27,7 +27,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.6.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.6.3 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -142,7 +142,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.6.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.6.3 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/dataset_addition_guide.html b/docs/dataset_addition_guide.html
@@ -4,7 +4,7 @@
 <html xmlns="http://www.w3.org/1999/xhtml">
   <head>
     <meta charset="utf-8" />
-    <title>Guide to adding datasets to matminer &#8212; matminer 0.6.2 documentation</title>
+    <title>Guide to adding datasets to matminer &#8212; matminer 0.6.3 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
     <script type="text/javascript" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
@@ -27,7 +27,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.6.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.6.3 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -232,8 +232,8 @@ <h2>5. Update the dataset tests and loading code<a class="headerlink" href="#upd
 or provide the user with extra options to return only subsets
 of the dataset with certain properties.</p>
 <p>Example:</p>
-<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="k">def</span> <span class="nf">load_elastic_tensor</span><span class="p">(</span><span class="n">version</span><span class="o">=</span><span class="s2">&quot;2015&quot;</span><span class="p">,</span> <span class="n">include_metadata</span><span class="o">=</span><span class="bp">False</span><span class="p">,</span> <span class="n">data_home</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span>
-                        <span class="n">download_if_missing</span><span class="o">=</span><span class="bp">True</span><span class="p">):</span>
+<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="k">def</span> <span class="nf">load_elastic_tensor</span><span class="p">(</span><span class="n">version</span><span class="o">=</span><span class="s2">&quot;2015&quot;</span><span class="p">,</span> <span class="n">include_metadata</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span> <span class="n">data_home</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span>
+                        <span class="n">download_if_missing</span><span class="o">=</span><span class="kc">True</span><span class="p">):</span>
     <span class="sd">&quot;&quot;&quot;</span>
 <span class="sd">    Convenience function for loading the elastic_tensor dataset.</span>
 
@@ -328,7 +328,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.6.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.6.3 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/dataset_summary.html b/docs/dataset_summary.html
@@ -4,7 +4,7 @@
 <html xmlns="http://www.w3.org/1999/xhtml">
   <head>
     <meta charset="utf-8" />
-    <title>Datasets Available in Matminer &#8212; matminer 0.6.2 documentation</title>
+    <title>Datasets Available in Matminer &#8212; matminer 0.6.3 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
     <script type="text/javascript" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
@@ -27,7 +27,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.6.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.6.3 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -2011,7 +2011,7 @@ <h2>matbench_phonons<a class="headerlink" href="#matbench-phonons" title="Permal
 </div>
 <div class="section" id="matbench-steels">
 <h2>matbench_steels<a class="headerlink" href="#matbench-steels" title="Permalink to this headline">¶</a></h2>
-<p>Matbench v0.1 dataset for predicting steel yeild strengths from chemical composition alone. Retrieved from Citrine informatics. Deduplicated.</p>
+<p>Matbench v0.1 dataset for predicting steel yield strengths from chemical composition alone. Retrieved from Citrine informatics. Deduplicated.</p>
 <p><strong>Number of entries:</strong> 312</p>
 <table class="colwidths-given docutils align-left">
 <colgroup>
@@ -2557,7 +2557,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.6.2 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">matminer 0.6.3 documentation</a> &#187;</li> 
       </ul>
     </div>