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Update to v0.9.3
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atomate/__init__.py

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__version__ = "0.9.2"
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__version__ = "0.9.3"

docs/_sources/changelog.rst.txt

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atomate Changelog
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=================
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**v0.9.3**
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* Minor change to enforce storing chgcars, clean up old kwargs in MagneticOrderings workflow (M. Horton)
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* Improve speed of large file copying in CopyVaspOutputs (T.M. Boland)
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**v0.9.2**
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* fix CalcDB authentication issue (M. Bercx)

docs/_sources/contributors.rst.txt

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* Brandon Bocklund, who led the atomate documentation effort, through the research group of Prof. Zi-Kiu Liu at Penn State.
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* Tess Smidt through the research group of Prof. Jeff Neaton at UC Berkeley.
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* Danny Broberg through the research group of Prof. Mark Asta at UC Berkeley.
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* External contributors: specter119, M. Dias Costa, S. Torrisi, Max Dylla, Marnik Bercx
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* External contributors: specter119, M. Dias Costa, S. Torrisi, Max Dylla, Marnik Bercx, Tara Maria Boland

docs/_static/documentation_options.js

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var DOCUMENTATION_OPTIONS = {
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URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'),
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VERSION: '0.9.2',
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VERSION: '0.9.3',
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LANGUAGE: 'None',
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FILE_SUFFIX: '.html',

docs/atomate.common.firetasks.html

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<html xmlns="http://www.w3.org/1999/xhtml">
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<meta charset="utf-8" />
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<title>atomate.common.firetasks package &#8212; atomate 0.9.2 documentation</title>
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<title>atomate.common.firetasks package &#8212; atomate 0.9.3 documentation</title>
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<link rel="stylesheet" href="_static/nature.css" type="text/css" />
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<a href="py-modindex.html" title="Python Module Index"
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<li class="nav-item nav-item-0"><a href="index.html">atomate 0.9.2 documentation</a> &#187;</li>
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docs/atomate.common.firetasks.tests.html

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docs/atomate.common.html

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docs/atomate.feff.firetasks.html

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docs/atomate.feff.firetasks.tests.html

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docs/atomate.feff.fireworks.html

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