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atomate/__init__.py

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__version__ = "0.7.2"
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atomate Changelog
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=================
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**v0.7.3**
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* minor drones updates (S. Dwaraknath)
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* installation fix (P. Huck)
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**v0.7.2**
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* Bugfix database getter in builders (S. Dwaraknath)

docs/atomate.common.firetasks.html

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docs/atomate.common.firetasks.tests.html

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<html xmlns="http://www.w3.org/1999/xhtml">
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<li class="nav-item nav-item-0"><a href="index.html">atomate 0.7.2 documentation</a> &#187;</li>
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<h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this headline"></a></h2>
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</div>
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<div class="section" id="module-atomate.common.firetasks.tests.test_glue_tasks">
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<span id="atomate-common-firetasks-tests-test-glue-tasks-module"></span><h2>atomate.common.firetasks.tests.test_glue_tasks module<a class="headerlink" href="#module-atomate.common.firetasks.tests.test_glue_tasks" title="Permalink to this headline"></a></h2>
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<dt id="atomate.common.firetasks.tests.test_glue_tasks.TestCopyFilesFromCalcLoc">
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<em class="property">class </em><code class="descclassname">atomate.common.firetasks.tests.test_glue_tasks.</code><code class="descname">TestCopyFilesFromCalcLoc</code><span class="sig-paren">(</span><em>methodName='runTest'</em><span class="sig-paren">)</span><a class="headerlink" href="#atomate.common.firetasks.tests.test_glue_tasks.TestCopyFilesFromCalcLoc" title="Permalink to this definition"></a></dt>
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<dd><p>Bases: <a class="reference internal" href="atomate.utils.html#atomate.utils.testing.AtomateTest" title="atomate.utils.testing.AtomateTest"><code class="xref py py-class docutils literal"><span class="pre">atomate.utils.testing.AtomateTest</span></code></a></p>
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<em class="property">classmethod </em><code class="descname">setUpClass</code><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#atomate.common.firetasks.tests.test_glue_tasks.TestCopyFilesFromCalcLoc.setUpClass" title="Permalink to this definition"></a></dt>
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<dd></dd></dl>
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<dt id="atomate.common.firetasks.tests.test_glue_tasks.TestCopyFilesFromCalcLoc.test_copyfilesfromcalcloc">
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<code class="descname">test_copyfilesfromcalcloc</code><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#atomate.common.firetasks.tests.test_glue_tasks.TestCopyFilesFromCalcLoc.test_copyfilesfromcalcloc" title="Permalink to this definition"></a></dt>
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<dt id="atomate.common.firetasks.tests.test_glue_tasks.TestCreateFolder">
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<em class="property">class </em><code class="descclassname">atomate.common.firetasks.tests.test_glue_tasks.</code><code class="descname">TestCreateFolder</code><span class="sig-paren">(</span><em>methodName='runTest'</em><span class="sig-paren">)</span><a class="headerlink" href="#atomate.common.firetasks.tests.test_glue_tasks.TestCreateFolder" title="Permalink to this definition"></a></dt>
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<dd><p>Bases: <a class="reference internal" href="atomate.utils.html#atomate.utils.testing.AtomateTest" title="atomate.utils.testing.AtomateTest"><code class="xref py py-class docutils literal"><span class="pre">atomate.utils.testing.AtomateTest</span></code></a></p>
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<dt id="atomate.common.firetasks.tests.test_glue_tasks.TestCreateFolder.test_createfolder">
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<code class="descname">test_createfolder</code><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#atomate.common.firetasks.tests.test_glue_tasks.TestCreateFolder.test_createfolder" title="Permalink to this definition"></a></dt>
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<em class="property">class </em><code class="descclassname">atomate.common.firetasks.tests.test_glue_tasks.</code><code class="descname">TestDeleteFiles</code><span class="sig-paren">(</span><em>methodName='runTest'</em><span class="sig-paren">)</span><a class="headerlink" href="#atomate.common.firetasks.tests.test_glue_tasks.TestDeleteFiles" title="Permalink to this definition"></a></dt>
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<dd><p>Bases: <a class="reference internal" href="atomate.utils.html#atomate.utils.testing.AtomateTest" title="atomate.utils.testing.AtomateTest"><code class="xref py py-class docutils literal"><span class="pre">atomate.utils.testing.AtomateTest</span></code></a></p>
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<code class="descname">test_cleanupfiles</code><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#atomate.common.firetasks.tests.test_glue_tasks.TestDeleteFiles.test_cleanupfiles" title="Permalink to this definition"></a></dt>
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<dd><p>Bases: <a class="reference internal" href="atomate.utils.html#atomate.utils.testing.AtomateTest" title="atomate.utils.testing.AtomateTest"><code class="xref py py-class docutils literal"><span class="pre">atomate.utils.testing.AtomateTest</span></code></a></p>
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<code class="descname">test_passcalclocs</code><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#atomate.common.firetasks.tests.test_glue_tasks.TestPassCalcLocs.test_passcalclocs" title="Permalink to this definition"></a></dt>
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<h2>atomate.common.firetasks.tests.test_glue_tasks module<a class="headerlink" href="#atomate-common-firetasks-tests-test-glue-tasks-module" title="Permalink to this headline"></a></h2>
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<span id="atomate-common-firetasks-tests-test-parse-outputs-module"></span><h2>atomate.common.firetasks.tests.test_parse_outputs module<a class="headerlink" href="#module-atomate.common.firetasks.tests.test_parse_outputs" title="Permalink to this headline"></a></h2>
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<dt id="atomate.common.firetasks.tests.test_parse_outputs.TestDrone">
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<em class="property">class </em><code class="descclassname">atomate.common.firetasks.tests.test_parse_outputs.</code><code class="descname">TestDrone</code><a class="headerlink" href="#atomate.common.firetasks.tests.test_parse_outputs.TestDrone" title="Permalink to this definition"></a></dt>
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<dd><p>Bases: <code class="xref py py-class docutils literal"><span class="pre">pymatgen.apps.borg.hive.AbstractDrone</span></code></p>
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<dt id="atomate.common.firetasks.tests.test_parse_outputs.TestDrone.__init__">
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<code class="descname">__init__</code><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#atomate.common.firetasks.tests.test_parse_outputs.TestDrone.__init__" title="Permalink to this definition"></a></dt>
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<code class="descname">get_valid_paths</code><span class="sig-paren">(</span><em>path</em><span class="sig-paren">)</span><a class="headerlink" href="#atomate.common.firetasks.tests.test_parse_outputs.TestDrone.get_valid_paths" title="Permalink to this definition"></a></dt>
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<em class="property">class </em><code class="descclassname">atomate.common.firetasks.tests.test_parse_outputs.</code><code class="descname">TestToDbTask</code><span class="sig-paren">(</span><em>methodName='runTest'</em><span class="sig-paren">)</span><a class="headerlink" href="#atomate.common.firetasks.tests.test_parse_outputs.TestToDbTask" title="Permalink to this definition"></a></dt>
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<dd><p>Bases: <a class="reference internal" href="atomate.utils.html#atomate.utils.testing.AtomateTest" title="atomate.utils.testing.AtomateTest"><code class="xref py py-class docutils literal"><span class="pre">atomate.utils.testing.AtomateTest</span></code></a></p>
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<code class="descname">test_ToDbTask</code><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#atomate.common.firetasks.tests.test_parse_outputs.TestToDbTask.test_ToDbTask" title="Permalink to this definition"></a></dt>
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<div class="section" id="atomate-common-firetasks-tests-test-parse-outputs-module">
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<li><a class="reference internal" href="#submodules">Submodules</a></li>
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<li><a class="reference internal" href="#atomate-common-firetasks-tests-test-glue-tasks-module">atomate.common.firetasks.tests.test_glue_tasks module</a></li>
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<li><a class="reference internal" href="#atomate-common-firetasks-tests-test-parse-outputs-module">atomate.common.firetasks.tests.test_parse_outputs module</a></li>
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<li class="nav-item nav-item-0"><a href="index.html">atomate 0.7.3 documentation</a> &#187;</li>
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docs/atomate.common.html

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<li class="toctree-l4"><a class="reference internal" href="atomate.common.firetasks.tests.html#module-atomate.common.firetasks.tests.test_parse_outputs">atomate.common.firetasks.tests.test_parse_outputs module</a></li>
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<li class="toctree-l4"><a class="reference internal" href="atomate.common.firetasks.tests.html#atomate-common-firetasks-tests-test-parse-outputs-module">atomate.common.firetasks.tests.test_parse_outputs module</a></li>
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