Update to v0.8.9

hackingmaterials · May 10, 2019 · 60d6446 · 60d6446
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diff --git a/atomate/__init__.py b/atomate/__init__.py
@@ -1 +1 @@
-__version__ = "0.8.8"
+__version__ = "0.8.9"
diff --git a/docs/_sources/changelog.rst.txt b/docs/_sources/changelog.rst.txt
@@ -2,6 +2,12 @@
 atomate Changelog
 =================
 
+**v0.8.9**
+
+* fix NSCF run kpoint mesh and Boltztrap workflow to reflect pymatgen updates (A. Ganose)
+* allow "authsource" parameter in db.json files (A. Jain)
+* add powerup for turning off gzip (D. Broberg)
+
 **v0.8.8**
 
 * magnetic ordering workflows (M. Horton)

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: '0.8.8',
+    VERSION: '0.8.9',
     LANGUAGE: 'None',
     COLLAPSE_INDEX: false,
     FILE_SUFFIX: '.html',

diff --git a/docs/atomate.common.firetasks.html b/docs/atomate.common.firetasks.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>atomate.common.firetasks package &#8212; atomate 0.8.8 documentation</title>
+    <title>atomate.common.firetasks package &#8212; atomate 0.8.9 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>
@@ -28,7 +28,7 @@ <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">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
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@@ -677,7 +677,7 @@ <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">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
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diff --git a/docs/atomate.common.firetasks.tests.html b/docs/atomate.common.firetasks.tests.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>atomate.common.firetasks.tests package &#8212; atomate 0.8.8 documentation</title>
+    <title>atomate.common.firetasks.tests package &#8212; atomate 0.8.9 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
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@@ -28,7 +28,7 @@ <h3>Navigation</h3>
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              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
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@@ -211,7 +211,7 @@ <h3>Navigation</h3>
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              >modules</a> |</li>
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+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
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diff --git a/docs/atomate.common.html b/docs/atomate.common.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>atomate.common package &#8212; atomate 0.8.8 documentation</title>
+    <title>atomate.common package &#8212; atomate 0.8.9 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
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@@ -28,7 +28,7 @@ <h3>Navigation</h3>
         <li class="right" >
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              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
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@@ -116,7 +116,7 @@ <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">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
       </ul>
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diff --git a/docs/atomate.feff.firetasks.html b/docs/atomate.feff.firetasks.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>atomate.feff.firetasks package &#8212; atomate 0.8.8 documentation</title>
+    <title>atomate.feff.firetasks package &#8212; atomate 0.8.9 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>
@@ -28,7 +28,7 @@ <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">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
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@@ -452,7 +452,7 @@ <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">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
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diff --git a/docs/atomate.feff.firetasks.tests.html b/docs/atomate.feff.firetasks.tests.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>atomate.feff.firetasks.tests package &#8212; atomate 0.8.8 documentation</title>
+    <title>atomate.feff.firetasks.tests package &#8212; atomate 0.8.9 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>
@@ -28,7 +28,7 @@ <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">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
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@@ -121,7 +121,7 @@ <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">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
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diff --git a/docs/atomate.feff.fireworks.html b/docs/atomate.feff.fireworks.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>atomate.feff.fireworks package &#8212; atomate 0.8.8 documentation</title>
+    <title>atomate.feff.fireworks package &#8212; atomate 0.8.9 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>
@@ -28,7 +28,7 @@ <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">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
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@@ -212,7 +212,7 @@ <h3>Navigation</h3>
         <li class="right" >
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              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/atomate.feff.fireworks.tests.html b/docs/atomate.feff.fireworks.tests.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>atomate.feff.fireworks.tests package &#8212; atomate 0.8.8 documentation</title>
+    <title>atomate.feff.fireworks.tests package &#8212; atomate 0.8.9 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>
@@ -28,7 +28,7 @@ <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">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
       </ul>
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@@ -116,7 +116,7 @@ <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">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
       </ul>
     </div>
 

diff --git a/docs/atomate.feff.html b/docs/atomate.feff.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>atomate.feff package &#8212; atomate 0.8.8 documentation</title>
+    <title>atomate.feff package &#8212; atomate 0.8.9 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>
@@ -28,7 +28,7 @@ <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">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
       </ul>
     </div>  
 
@@ -104,11 +104,11 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <span id="atomate-feff-database-module"></span><h2>atomate.feff.database module<a class="headerlink" href="#module-atomate.feff.database" title="Permalink to this headline">¶</a></h2>
 <dl class="class">
 <dt id="atomate.feff.database.FeffCalcDb">
-<em class="property">class </em><code class="descclassname">atomate.feff.database.</code><code class="descname">FeffCalcDb</code><span class="sig-paren">(</span><em>host='localhost'</em>, <em>port=27017</em>, <em>database='feff'</em>, <em>collection='tasks'</em>, <em>user=None</em>, <em>password=None</em><span class="sig-paren">)</span><a class="headerlink" href="#atomate.feff.database.FeffCalcDb" title="Permalink to this definition">¶</a></dt>
+<em class="property">class </em><code class="descclassname">atomate.feff.database.</code><code class="descname">FeffCalcDb</code><span class="sig-paren">(</span><em>host='localhost'</em>, <em>port=27017</em>, <em>database='feff'</em>, <em>collection='tasks'</em>, <em>user=None</em>, <em>password=None</em>, <em>**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#atomate.feff.database.FeffCalcDb" title="Permalink to this definition">¶</a></dt>
 <dd><p>Bases: <a class="reference internal" href="atomate.utils.html#atomate.utils.database.CalcDb" title="atomate.utils.database.CalcDb"><code class="xref py py-class docutils literal notranslate"><span class="pre">atomate.utils.database.CalcDb</span></code></a></p>
 <dl class="method">
 <dt id="atomate.feff.database.FeffCalcDb.__init__">
-<code class="descname">__init__</code><span class="sig-paren">(</span><em>host='localhost'</em>, <em>port=27017</em>, <em>database='feff'</em>, <em>collection='tasks'</em>, <em>user=None</em>, <em>password=None</em><span class="sig-paren">)</span><a class="headerlink" href="#atomate.feff.database.FeffCalcDb.__init__" title="Permalink to this definition">¶</a></dt>
+<code class="descname">__init__</code><span class="sig-paren">(</span><em>host='localhost'</em>, <em>port=27017</em>, <em>database='feff'</em>, <em>collection='tasks'</em>, <em>user=None</em>, <em>password=None</em>, <em>**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#atomate.feff.database.FeffCalcDb.__init__" title="Permalink to this definition">¶</a></dt>
 <dd><p>Initialize self.  See help(type(self)) for accurate signature.</p>
 </dd></dl>
 
@@ -185,7 +185,7 @@ <h3>Navigation</h3>
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+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
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diff --git a/docs/atomate.feff.workflows.html b/docs/atomate.feff.workflows.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>atomate.feff.workflows package &#8212; atomate 0.8.8 documentation</title>
+    <title>atomate.feff.workflows package &#8212; atomate 0.8.9 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
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@@ -28,7 +28,7 @@ <h3>Navigation</h3>
         <li class="right" >
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              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
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@@ -251,7 +251,7 @@ <h3>Navigation</h3>
         <li class="right" >
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              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
       </ul>
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diff --git a/docs/atomate.feff.workflows.tests.html b/docs/atomate.feff.workflows.tests.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>atomate.feff.workflows.tests package &#8212; atomate 0.8.8 documentation</title>
+    <title>atomate.feff.workflows.tests package &#8212; atomate 0.8.9 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
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@@ -28,7 +28,7 @@ <h3>Navigation</h3>
         <li class="right" >
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              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
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@@ -189,7 +189,7 @@ <h3>Navigation</h3>
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              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
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diff --git a/docs/atomate.html b/docs/atomate.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>atomate package &#8212; atomate 0.8.8 documentation</title>
+    <title>atomate package &#8212; atomate 0.8.9 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
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@@ -28,7 +28,7 @@ <h3>Navigation</h3>
         <li class="right" >
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              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
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@@ -426,7 +426,7 @@ <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">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
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diff --git a/docs/atomate.lammps.firetasks.html b/docs/atomate.lammps.firetasks.html
@@ -6,7 +6,7 @@
   <head>
     <meta http-equiv="X-UA-Compatible" content="IE=Edge" />
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
-    <title>atomate.lammps.firetasks package &#8212; atomate 0.8.8 documentation</title>
+    <title>atomate.lammps.firetasks package &#8212; atomate 0.8.9 documentation</title>
     <link rel="stylesheet" href="_static/nature.css" type="text/css" />
     <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
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@@ -28,7 +28,7 @@ <h3>Navigation</h3>
         <li class="right" >
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              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
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@@ -471,7 +471,7 @@ <h3>Navigation</h3>
         <li class="right" >
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              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.8 documentation</a> &#187;</li> 
+        <li class="nav-item nav-item-0"><a href="index.html">atomate 0.8.9 documentation</a> &#187;</li> 
       </ul>
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