v0.4.3 release.

materialsproject · Aug 28, 2013 · 425ba7c · 425ba7c
1 parent 8e0b8f2
commit 425ba7c
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Showing 36 changed files with 259 additions and 256 deletions.
diff --git a/custodian/__init__.py b/custodian/__init__.py
@@ -1,5 +1,5 @@
 __author__ = "Shyue Ping Ong"
 __date__ = "Jun 23 2013"
-__version__ = "0.4.2"
+__version__ = "0.4.3"
 
 from custodian import Custodian
diff --git a/custodian/vasp/handlers.py b/custodian/vasp/handlers.py
@@ -85,22 +85,28 @@ def correct(self):
         if "tet" in self.errors or "dentet" in self.errors:
             actions.append({"dict": "INCAR",
                             "action": {"_set": {"ISMEAR": 0}}})
+
         if "inv_rot_mat" in self.errors:
             actions.append({"dict": "INCAR",
                             "action": {"_set": {"SYMPREC": 1e-8}}})
+
         if "brmix" in self.errors or "zpotrf" in self.errors:
             actions.append({"dict": "INCAR",
                             "action": {"_set": {"ISYM": 0}}})
+
         if "subspacematrix" in self.errors or "rspher" in self.errors or \
                 "real_optlay" in self.errors:
             actions.append({"dict": "INCAR",
                             "action": {"_set": {"LREAL": False}}})
+
         if "tetirr" in self.errors or "incorrect_shift" in self.errors:
             actions.append({"dict": "KPOINTS",
                             "action": {"_set": {"generation_style": "Gamma"}}})
+
         if "amin" in self.errors:
             actions.append({"dict": "INCAR",
                             "action": {"_set": {"AMIN": "0.01"}}})
+
         if "too_few_bands" in self.errors:
             if "NBANDS" in vi["INCAR"]:
                 nbands = int(vi["INCAR"]["NBANDS"])

diff --git a/docs/_build/doctrees/changelog.doctree b/docs/_build/doctrees/changelog.doctree
diff --git a/docs/_build/doctrees/custodian.ansible.doctree b/docs/_build/doctrees/custodian.ansible.doctree
diff --git a/docs/_build/doctrees/custodian.doctree b/docs/_build/doctrees/custodian.doctree
diff --git a/docs/_build/doctrees/custodian.nwchem.doctree b/docs/_build/doctrees/custodian.nwchem.doctree
diff --git a/docs/_build/doctrees/custodian.vasp.doctree b/docs/_build/doctrees/custodian.vasp.doctree
diff --git a/docs/_build/doctrees/environment.pickle b/docs/_build/doctrees/environment.pickle
diff --git a/docs/_build/doctrees/index.doctree b/docs/_build/doctrees/index.doctree
diff --git a/docs/_build/doctrees/modules.doctree b/docs/_build/doctrees/modules.doctree
diff --git a/docs/_build/html/.buildinfo b/docs/_build/html/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: ed8b58475318735e2052586abcd2bbcc
+config: b27c9cbd993430d0bd16394c3878bcc4
 tags: a205e9ed8462ae86fdd2f73488852ba9
diff --git a/docs/_build/html/_modules/custodian/ansible/actions.html b/docs/_build/html/_modules/custodian/ansible/actions.html
@@ -6,15 +6,15 @@
   <head>
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
 
-    <title>custodian.ansible.actions &mdash; custodian 0.4.2 documentation</title>
+    <title>custodian.ansible.actions &mdash; custodian 0.4.3 documentation</title>
 
     <link rel="stylesheet" href="../../../_static/proBlue.css" type="text/css" />
     <link rel="stylesheet" href="../../../_static/pygments.css" type="text/css" />
 
     <script type="text/javascript">
       var DOCUMENTATION_OPTIONS = {
         URL_ROOT:    '../../../',
-        VERSION:     '0.4.2',
+        VERSION:     '0.4.3',
         COLLAPSE_INDEX: false,
         FILE_SUFFIX: '.html',
         HAS_SOURCE:  true
@@ -24,7 +24,7 @@
     <script type="text/javascript" src="../../../_static/underscore.js"></script>
     <script type="text/javascript" src="../../../_static/doctools.js"></script>
     <link rel="shortcut icon" href="../../../_static/favicon.ico"/>
-    <link rel="top" title="custodian 0.4.2 documentation" href="../../../index.html" />
+    <link rel="top" title="custodian 0.4.3 documentation" href="../../../index.html" />
     <link rel="up" title="Module code" href="../../index.html" />
 
 <script type="text/javascript">
@@ -44,7 +44,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="../../../py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li><a href="../../../index.html">custodian 0.4.2 documentation</a> &raquo;</li>
+        <li><a href="../../../index.html">custodian 0.4.3 documentation</a> &raquo;</li>
           <li><a href="../../index.html" accesskey="U">Module code</a> &raquo;</li> 
       </ul>
     </div>  
@@ -314,7 +314,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="../../../py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li><a href="../../../index.html">custodian 0.4.2 documentation</a> &raquo;</li>
+        <li><a href="../../../index.html">custodian 0.4.3 documentation</a> &raquo;</li>
           <li><a href="../../index.html" >Module code</a> &raquo;</li> 
       </ul>
     </div>

diff --git a/docs/_build/html/_modules/custodian/ansible/intepreter.html b/docs/_build/html/_modules/custodian/ansible/intepreter.html
@@ -6,15 +6,15 @@
   <head>
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
 
-    <title>custodian.ansible.intepreter &mdash; custodian 0.4.2 documentation</title>
+    <title>custodian.ansible.intepreter &mdash; custodian 0.4.3 documentation</title>
 
     <link rel="stylesheet" href="../../../_static/proBlue.css" type="text/css" />
     <link rel="stylesheet" href="../../../_static/pygments.css" type="text/css" />
 
     <script type="text/javascript">
       var DOCUMENTATION_OPTIONS = {
         URL_ROOT:    '../../../',
-        VERSION:     '0.4.2',
+        VERSION:     '0.4.3',
         COLLAPSE_INDEX: false,
         FILE_SUFFIX: '.html',
         HAS_SOURCE:  true
@@ -24,7 +24,7 @@
     <script type="text/javascript" src="../../../_static/underscore.js"></script>
     <script type="text/javascript" src="../../../_static/doctools.js"></script>
     <link rel="shortcut icon" href="../../../_static/favicon.ico"/>
-    <link rel="top" title="custodian 0.4.2 documentation" href="../../../index.html" />
+    <link rel="top" title="custodian 0.4.3 documentation" href="../../../index.html" />
     <link rel="up" title="Module code" href="../../index.html" />
 
 <script type="text/javascript">
@@ -44,7 +44,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="../../../py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li><a href="../../../index.html">custodian 0.4.2 documentation</a> &raquo;</li>
+        <li><a href="../../../index.html">custodian 0.4.3 documentation</a> &raquo;</li>
           <li><a href="../../index.html" accesskey="U">Module code</a> &raquo;</li> 
       </ul>
     </div>  
@@ -191,7 +191,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="../../../py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li><a href="../../../index.html">custodian 0.4.2 documentation</a> &raquo;</li>
+        <li><a href="../../../index.html">custodian 0.4.3 documentation</a> &raquo;</li>
           <li><a href="../../index.html" >Module code</a> &raquo;</li> 
       </ul>
     </div>

diff --git a/docs/_build/html/_modules/custodian/custodian.html b/docs/_build/html/_modules/custodian/custodian.html
@@ -6,15 +6,15 @@
   <head>
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
 
-    <title>custodian.custodian &mdash; custodian 0.4.2 documentation</title>
+    <title>custodian.custodian &mdash; custodian 0.4.3 documentation</title>
 
     <link rel="stylesheet" href="../../_static/proBlue.css" type="text/css" />
     <link rel="stylesheet" href="../../_static/pygments.css" type="text/css" />
 
     <script type="text/javascript">
       var DOCUMENTATION_OPTIONS = {
         URL_ROOT:    '../../',
-        VERSION:     '0.4.2',
+        VERSION:     '0.4.3',
         COLLAPSE_INDEX: false,
         FILE_SUFFIX: '.html',
         HAS_SOURCE:  true
@@ -24,7 +24,7 @@
     <script type="text/javascript" src="../../_static/underscore.js"></script>
     <script type="text/javascript" src="../../_static/doctools.js"></script>
     <link rel="shortcut icon" href="../../_static/favicon.ico"/>
-    <link rel="top" title="custodian 0.4.2 documentation" href="../../index.html" />
+    <link rel="top" title="custodian 0.4.3 documentation" href="../../index.html" />
     <link rel="up" title="Module code" href="../index.html" />
 
 <script type="text/javascript">
@@ -44,7 +44,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="../../py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li><a href="../../index.html">custodian 0.4.2 documentation</a> &raquo;</li>
+        <li><a href="../../index.html">custodian 0.4.3 documentation</a> &raquo;</li>
           <li><a href="../index.html" accesskey="U">Module code</a> &raquo;</li> 
       </ul>
     </div>  
@@ -376,7 +376,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="../../py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li><a href="../../index.html">custodian 0.4.2 documentation</a> &raquo;</li>
+        <li><a href="../../index.html">custodian 0.4.3 documentation</a> &raquo;</li>
           <li><a href="../index.html" >Module code</a> &raquo;</li> 
       </ul>
     </div>

diff --git a/docs/_build/html/_modules/custodian/nwchem/handlers.html b/docs/_build/html/_modules/custodian/nwchem/handlers.html
@@ -6,15 +6,15 @@
   <head>
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
 
-    <title>custodian.nwchem.handlers &mdash; custodian 0.4.2 documentation</title>
+    <title>custodian.nwchem.handlers &mdash; custodian 0.4.3 documentation</title>
 
     <link rel="stylesheet" href="../../../_static/proBlue.css" type="text/css" />
     <link rel="stylesheet" href="../../../_static/pygments.css" type="text/css" />
 
     <script type="text/javascript">
       var DOCUMENTATION_OPTIONS = {
         URL_ROOT:    '../../../',
-        VERSION:     '0.4.2',
+        VERSION:     '0.4.3',
         COLLAPSE_INDEX: false,
         FILE_SUFFIX: '.html',
         HAS_SOURCE:  true
@@ -24,7 +24,7 @@
     <script type="text/javascript" src="../../../_static/underscore.js"></script>
     <script type="text/javascript" src="../../../_static/doctools.js"></script>
     <link rel="shortcut icon" href="../../../_static/favicon.ico"/>
-    <link rel="top" title="custodian 0.4.2 documentation" href="../../../index.html" />
+    <link rel="top" title="custodian 0.4.3 documentation" href="../../../index.html" />
     <link rel="up" title="Module code" href="../../index.html" />
 
 <script type="text/javascript">
@@ -44,7 +44,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="../../../py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li><a href="../../../index.html">custodian 0.4.2 documentation</a> &raquo;</li>
+        <li><a href="../../../index.html">custodian 0.4.3 documentation</a> &raquo;</li>
           <li><a href="../../index.html" accesskey="U">Module code</a> &raquo;</li> 
       </ul>
     </div>  
@@ -207,7 +207,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="../../../py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li><a href="../../../index.html">custodian 0.4.2 documentation</a> &raquo;</li>
+        <li><a href="../../../index.html">custodian 0.4.3 documentation</a> &raquo;</li>
           <li><a href="../../index.html" >Module code</a> &raquo;</li> 
       </ul>
     </div>

diff --git a/docs/_build/html/_modules/custodian/nwchem/jobs.html b/docs/_build/html/_modules/custodian/nwchem/jobs.html
@@ -6,15 +6,15 @@
   <head>
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
 
-    <title>custodian.nwchem.jobs &mdash; custodian 0.4.2 documentation</title>
+    <title>custodian.nwchem.jobs &mdash; custodian 0.4.3 documentation</title>
 
     <link rel="stylesheet" href="../../../_static/proBlue.css" type="text/css" />
     <link rel="stylesheet" href="../../../_static/pygments.css" type="text/css" />
 
     <script type="text/javascript">
       var DOCUMENTATION_OPTIONS = {
         URL_ROOT:    '../../../',
-        VERSION:     '0.4.2',
+        VERSION:     '0.4.3',
         COLLAPSE_INDEX: false,
         FILE_SUFFIX: '.html',
         HAS_SOURCE:  true
@@ -24,7 +24,7 @@
     <script type="text/javascript" src="../../../_static/underscore.js"></script>
     <script type="text/javascript" src="../../../_static/doctools.js"></script>
     <link rel="shortcut icon" href="../../../_static/favicon.ico"/>
-    <link rel="top" title="custodian 0.4.2 documentation" href="../../../index.html" />
+    <link rel="top" title="custodian 0.4.3 documentation" href="../../../index.html" />
     <link rel="up" title="Module code" href="../../index.html" />
 
 <script type="text/javascript">
@@ -44,7 +44,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="../../../py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li><a href="../../../index.html">custodian 0.4.2 documentation</a> &raquo;</li>
+        <li><a href="../../../index.html">custodian 0.4.3 documentation</a> &raquo;</li>
           <li><a href="../../index.html" accesskey="U">Module code</a> &raquo;</li> 
       </ul>
     </div>  
@@ -206,7 +206,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="../../../py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li><a href="../../../index.html">custodian 0.4.2 documentation</a> &raquo;</li>
+        <li><a href="../../../index.html">custodian 0.4.3 documentation</a> &raquo;</li>
           <li><a href="../../index.html" >Module code</a> &raquo;</li> 
       </ul>
     </div>

diff --git a/docs/_build/html/_modules/custodian/vasp/handlers.html b/docs/_build/html/_modules/custodian/vasp/handlers.html
@@ -6,15 +6,15 @@
   <head>
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
 
-    <title>custodian.vasp.handlers &mdash; custodian 0.4.2 documentation</title>
+    <title>custodian.vasp.handlers &mdash; custodian 0.4.3 documentation</title>
 
     <link rel="stylesheet" href="../../../_static/proBlue.css" type="text/css" />
     <link rel="stylesheet" href="../../../_static/pygments.css" type="text/css" />
 
     <script type="text/javascript">
       var DOCUMENTATION_OPTIONS = {
         URL_ROOT:    '../../../',
-        VERSION:     '0.4.2',
+        VERSION:     '0.4.3',
         COLLAPSE_INDEX: false,
         FILE_SUFFIX: '.html',
         HAS_SOURCE:  true
@@ -24,7 +24,7 @@
     <script type="text/javascript" src="../../../_static/underscore.js"></script>
     <script type="text/javascript" src="../../../_static/doctools.js"></script>
     <link rel="shortcut icon" href="../../../_static/favicon.ico"/>
-    <link rel="top" title="custodian 0.4.2 documentation" href="../../../index.html" />
+    <link rel="top" title="custodian 0.4.3 documentation" href="../../../index.html" />
     <link rel="up" title="Module code" href="../../index.html" />
 
 <script type="text/javascript">
@@ -44,7 +44,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="../../../py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li><a href="../../../index.html">custodian 0.4.2 documentation</a> &raquo;</li>
+        <li><a href="../../../index.html">custodian 0.4.3 documentation</a> &raquo;</li>
           <li><a href="../../index.html" accesskey="U">Module code</a> &raquo;</li> 
       </ul>
     </div>  
@@ -466,7 +466,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="../../../py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li><a href="../../../index.html">custodian 0.4.2 documentation</a> &raquo;</li>
+        <li><a href="../../../index.html">custodian 0.4.3 documentation</a> &raquo;</li>
           <li><a href="../../index.html" >Module code</a> &raquo;</li> 
       </ul>
     </div>

diff --git a/docs/_build/html/_modules/custodian/vasp/jobs.html b/docs/_build/html/_modules/custodian/vasp/jobs.html
@@ -6,15 +6,15 @@
   <head>
     <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
 
-    <title>custodian.vasp.jobs &mdash; custodian 0.4.2 documentation</title>
+    <title>custodian.vasp.jobs &mdash; custodian 0.4.3 documentation</title>
 
     <link rel="stylesheet" href="../../../_static/proBlue.css" type="text/css" />
     <link rel="stylesheet" href="../../../_static/pygments.css" type="text/css" />
 
     <script type="text/javascript">
       var DOCUMENTATION_OPTIONS = {
         URL_ROOT:    '../../../',
-        VERSION:     '0.4.2',
+        VERSION:     '0.4.3',
         COLLAPSE_INDEX: false,
         FILE_SUFFIX: '.html',
         HAS_SOURCE:  true
@@ -24,7 +24,7 @@
     <script type="text/javascript" src="../../../_static/underscore.js"></script>
     <script type="text/javascript" src="../../../_static/doctools.js"></script>
     <link rel="shortcut icon" href="../../../_static/favicon.ico"/>
-    <link rel="top" title="custodian 0.4.2 documentation" href="../../../index.html" />
+    <link rel="top" title="custodian 0.4.3 documentation" href="../../../index.html" />
     <link rel="up" title="Module code" href="../../index.html" />
 
 <script type="text/javascript">
@@ -44,7 +44,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="../../../py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li><a href="../../../index.html">custodian 0.4.2 documentation</a> &raquo;</li>
+        <li><a href="../../../index.html">custodian 0.4.3 documentation</a> &raquo;</li>
           <li><a href="../../index.html" accesskey="U">Module code</a> &raquo;</li> 
       </ul>
     </div>  
@@ -301,7 +301,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="../../../py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li><a href="../../../index.html">custodian 0.4.2 documentation</a> &raquo;</li>
+        <li><a href="../../../index.html">custodian 0.4.3 documentation</a> &raquo;</li>
           <li><a href="../../index.html" >Module code</a> &raquo;</li> 
       </ul>
     </div>