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Update to v0.9.8
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computron committed Mar 10, 2021
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2 changes: 1 addition & 1 deletion atomate/__init__.py
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__version__ = "0.9.6"
__version__ = "0.9.8"
2 changes: 1 addition & 1 deletion docs/_sources/contributors.rst.txt
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Contributors
============

.. caution:: Starting v0.9.6 onwards, the contributors list is no longer maintained. Please check the Github commit log for a record of changes.
.. caution:: Starting v0.9.6 onwards, the contributors list is no longer maintained. the contributors list is no longer maintained. Please check the Github contributors list instead.

atomate development is led by the Hacking Materials research group led by Anubhav Jain at Lawrence Berkeley National Lab, using primarily research funding from U.S. Department of Energy Early Career program; additional support and funding is from the U.S. Department of Energy Materials Project program.

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2 changes: 1 addition & 1 deletion docs/_sources/index.rst.txt
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Expand Up @@ -109,7 +109,7 @@ The list of contributors to atomate can be found :doc:`here </contributors>`.

There is an `atomate Discourse forum`_ dedicated to discussion and basic support.

For specifics on how to contribute, see our `contribution guidelines. <https://github.com/hackingmaterials/atomate/blob/master/CONTRIBUTING.md>`_
For specifics on how to contribute, see our `contribution guidelines. <https://github.com/hackingmaterials/atomate/blob/main/CONTRIBUTING.md>`_

.. _atomate Discourse forum: https://discuss.matsci.org/c/atomate

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4 changes: 2 additions & 2 deletions docs/_sources/installation.rst.txt
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Expand Up @@ -344,7 +344,7 @@ This is not at all required, but if you want to see what the queue templates loo

.. _FireWorks documentation for writing queue adapters: https://materialsproject.github.io/fireworks/qadapter_programming.html?highlight=qadapter

.. _here: https://github.com/materialsproject/fireworks/tree/master/fireworks/user_objects/queue_adapters
.. _here: https://github.com/materialsproject/fireworks/tree/main/fireworks/user_objects/queue_adapters


FW_config.yaml
Expand Down Expand Up @@ -481,7 +481,7 @@ Below are 4 different options for adding a workflow to the database. You only ne
All of these function specify (i) a type of workflow and (ii) the structure to feed into that workflow.
* The ``-l vasp`` option states to use the ``vasp`` library of workflows.
* The ``-s optimize_only.yaml`` sets the specification of the workflow using the ``optimize_only.yaml`` file in `this directory <https://github.com/hackingmaterials/atomate/blob/master/atomate/vasp/workflows/base/library/>`_. Alternatively, the ``-p wf_structure_optimization`` sets the workflow specification using the preset Python function located in `this module <https://github.com/hackingmaterials/atomate/blob/master/atomate/vasp/workflows/presets/core.py>`_. For now, it's probably best not to worry about the distinction but to know that both libraries of workflows are available to you.
* The ``-s optimize_only.yaml`` sets the specification of the workflow using the ``optimize_only.yaml`` file in `this directory <https://github.com/hackingmaterials/atomate/blob/main/atomate/vasp/workflows/base/library/>`_. Alternatively, the ``-p wf_structure_optimization`` sets the workflow specification using the preset Python function located in `this module <https://github.com/hackingmaterials/atomate/blob/main/atomate/vasp/workflows/presets/core.py>`_. For now, it's probably best not to worry about the distinction but to know that both libraries of workflows are available to you.
* The ``-c`` option is used in file-based workflows to make sure that one uses the ``vasp_cmd`` and ``db_file`` that are specified in ``my_fworker.yaml`` that you specified earlier. In the preset workflows, it is the default behavior to take these parameters from the ``my_fworker.yaml`` so this option is not needed.
Verify the workflow
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2 changes: 1 addition & 1 deletion docs/_static/documentation_options.js
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var DOCUMENTATION_OPTIONS = {
URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'),
VERSION: '0.9.6',
VERSION: '0.9.8',
LANGUAGE: 'None',
COLLAPSE_INDEX: false,
BUILDER: 'html',
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6 changes: 3 additions & 3 deletions docs/advanced_stores.html
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<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>Advanced Storage Stratagies &#8212; atomate 0.9.6 documentation</title>
<title>Advanced Storage Stratagies &#8212; atomate 0.9.8 documentation</title>
<link rel="stylesheet" href="_static/nature.css" type="text/css" />
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
<script id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
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<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 0.9.6 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">atomate 0.9.8 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">Advanced Storage Stratagies</a></li>
</ul>
</div>
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<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 0.9.6 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">atomate 0.9.8 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">Advanced Storage Stratagies</a></li>
</ul>
</div>
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