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Update to v0.5.6
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computron committed May 10, 2019
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9 changes: 9 additions & 0 deletions docs/_sources/changelog.rst.txt
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Expand Up @@ -5,6 +5,15 @@
matminer Changelog
==================

**v0.5.6**

* add Global Instability Index featurizer (N. Wagner)
* fix Citrine code in docs (D. Nishikawa)
* fix Bond Valence data (K. Muraoka)
* fix MPDataRetrieval (A. Ganose)
* update citation / implementor list for SOAP (A. Jain)
* misc bug fixes (K. Muraoka, C. Legaspi)

**v0.5.5**

* Add a precheck() and precheck_dataframe() function that can be used to quickly see if a featurizer is likely to give NaN values (A. Dunn)
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7 changes: 5 additions & 2 deletions docs/_sources/contributors.rst.txt
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Expand Up @@ -42,7 +42,8 @@ University of Chicago
* Matt Horton
* Donny Winston
* Joseph Montoya

* Koki Muraoka
* Christian Legaspi

Other
-----
Expand All @@ -54,4 +55,6 @@ Other
* Logan Williams (U Michigan Ann Arbor)
* Aidan Thompson (Sandia National Lab)
* Kamal Choudhary (NIST)
* Tian Xie (MIT)
* Tian Xie (MIT)
* Daiki Nishikawa
* Nicholas Wagner (Northwestern University)
2 changes: 1 addition & 1 deletion docs/_sources/featurizer_summary.rst.txt
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Expand Up @@ -201,7 +201,7 @@ Name Description
:code:`CGCNNFeaturizer` Features generated by training a Crystal Graph Convolutional Neural Network `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.CGCNNFeaturizer>`_
:code:`JarvisCFID` Classical Force-Field Inspired Descriptors (CFID) from Jarvis-ML. `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.JarvisCFID>`_
:code:`SOAP` Smooth overlap of atomic positions (interface via dscribe). `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.SOAP>`_
:code:`GlobalInstabilityIndex` Will compute the global instability index of a structure. `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.GlobalInstabilityIndex>`_
:code:`GlobalInstabilityIndex` The global instability index of a structure. `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.GlobalInstabilityIndex>`_
============================================ ================================================================================================================================================================================================================================================================================================================================================================================================================


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2 changes: 1 addition & 1 deletion docs/_sources/index.rst.txt
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Expand Up @@ -61,7 +61,7 @@ For example, to compare experimental and computed band gaps of Si, one can emplo
from matminer.data_retrieval.retrieve_Citrine import CitrineDataRetrieval
from matminer.data_retrieval.retrieve_MP import MPDataRetrieval
df_citrine = CitrineDataRetrieval().get_dataframe(formula='Si', property='band gap', data_type='EXPERIMENTAL')
df_citrine = CitrineDataRetrieval().get_dataframe(criteria='Si', properties=['band_gap'])
df_mp = MPDataRetrieval().get_dataframe(criteria='Si', properties=['band_gap'])
`MongoDataRetrieval <https://github.com/hackingmaterials/matminer/blob/master/matminer/data_retrieval/retrieve_MongoDB.py>`_ is another data retrieval tool developed that allows for the parsing of any `MongoDB <https://www.mongodb.com/>`_ collection (which follows a flexible JSON schema), into a Pandas dataframe that has a format similar to the output dataframe from the above data retrieval tools. The arguments of the :code:`get_dataframe` method allow to utilize MongoDB's rich and powerful query/aggregation syntax structure. More information on customization of queries can be found in the `MongoDB documentation <https://docs.mongodb.com/manual/>`_.
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76 changes: 2 additions & 74 deletions docs/_static/basic.css
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*
* Sphinx stylesheet -- basic theme.
*
* :copyright: Copyright 2007-2019 by the Sphinx team, see AUTHORS.
* :copyright: Copyright 2007-2018 by the Sphinx team, see AUTHORS.
* :license: BSD, see LICENSE for details.
*
*/
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font-style: oblique;
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cursor: help;
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7 changes: 4 additions & 3 deletions docs/_static/doctools.js
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*
* Sphinx JavaScript utilities for all documentation.
*
* :copyright: Copyright 2007-2019 by the Sphinx team, see AUTHORS.
* :copyright: Copyright 2007-2018 by the Sphinx team, see AUTHORS.
* :license: BSD, see LICENSE for details.
*
*/
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node.nextSibling));
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