Update to v0.6.4

hackingmaterials · Oct 27, 2020 · b3134e4 · b3134e4
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diff --git a/docs/_images/math/9c175e2552d4e2d9c682055a2ce7d1fbb538116d.png b/docs/_images/math/9c175e2552d4e2d9c682055a2ce7d1fbb538116d.png
diff --git a/docs/_images/math/b7fdf13f2e4d24f9f2d55a77dcebbf52c8ad19c7.png b/docs/_images/math/b7fdf13f2e4d24f9f2d55a77dcebbf52c8ad19c7.png
diff --git a/docs/_sources/changelog.rst.txt b/docs/_sources/changelog.rst.txt
@@ -5,6 +5,14 @@
 matminer Changelog
 ==================
 
+**v0.6.4**
+
+* make BaseFeaturizer an ABC with abstractmethods (J. Riebesell)
+* default ewald summation to be per atom; change default feature name to reflect this (A. Jain)
+* add feature descriptions for magpie (A. Dunn)
+* correct yield strengths being accidentally in GPa instead of MPa (A. Dunn)
+* minor fixes / updates (B. Krull, A. Dunn, A. Ganose, A. Jain)
+
 **v0.6.3**
 
 * add IntersticeDistribution featurizer (Q. Wang)

diff --git a/docs/_sources/contributors.rst.txt b/docs/_sources/contributors.rst.txt
@@ -59,3 +59,5 @@ Other
 * Daiki Nishikawa
 * Nicholas Wagner (Northwestern University)
 * Amalie Trewartha (LBNL)
+* Janosh Riebesell
+* Brandon Krull
diff --git a/docs/_sources/dataset_summary.rst.txt b/docs/_sources/dataset_summary.rst.txt
diff --git a/docs/_sources/featurizer_summary.rst.txt b/docs/_sources/featurizer_summary.rst.txt
@@ -235,6 +235,8 @@ Features from individual sites in a material's crystal structure.
      - Determines the average bond length between one specific site     
    * - :code:`AverageBondAngle`
      - Determines the average bond angles of a specific site with     
+   * - :code:`SOAP`
+     - Smooth overlap of atomic positions (interface via DScribe).     
 
 
 
@@ -295,8 +297,6 @@ Generating features based on a material's crystal structure.
      - Features generated by training a Crystal Graph Convolutional Neural Network     
    * - :code:`JarvisCFID`
      - Classical Force-Field Inspired Descriptors (CFID) from Jarvis-ML.     
-   * - :code:`SOAP`
-     - Smooth overlap of atomic positions (interface via dscribe).     
    * - :code:`GlobalInstabilityIndex`
      - The global instability index of a structure.     
    * - :code:`StructuralComplexity`

diff --git a/docs/_sources/matminer.data_retrieval.rst.txt b/docs/_sources/matminer.data_retrieval.rst.txt
@@ -5,6 +5,7 @@ Subpackages
 -----------
 
 .. toctree::
+   :maxdepth: 4
 
    matminer.data_retrieval.tests
 
@@ -67,7 +68,6 @@ matminer.data\_retrieval.retrieve\_base module
    :undoc-members:
    :show-inheritance:
 
-
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diff --git a/docs/_sources/matminer.data_retrieval.tests.rst.txt b/docs/_sources/matminer.data_retrieval.tests.rst.txt
@@ -52,7 +52,6 @@ matminer.data\_retrieval.tests.test\_retrieve\_MongoDB module
    :undoc-members:
    :show-inheritance:
 
-
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diff --git a/docs/_sources/matminer.datasets.rst.txt b/docs/_sources/matminer.datasets.rst.txt
@@ -5,6 +5,7 @@ Subpackages
 -----------
 
 .. toctree::
+   :maxdepth: 4
 
    matminer.datasets.tests
 
@@ -35,7 +36,6 @@ matminer.datasets.utils module
    :undoc-members:
    :show-inheritance:
 
-
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diff --git a/docs/_sources/matminer.datasets.tests.rst.txt b/docs/_sources/matminer.datasets.tests.rst.txt
@@ -44,7 +44,6 @@ matminer.datasets.tests.test\_utils module
    :undoc-members:
    :show-inheritance:
 
-
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diff --git a/docs/_sources/matminer.featurizers.rst.txt b/docs/_sources/matminer.featurizers.rst.txt
@@ -5,6 +5,7 @@ Subpackages
 -----------
 
 .. toctree::
+   :maxdepth: 4
 
    matminer.featurizers.tests
    matminer.featurizers.utils
@@ -84,7 +85,6 @@ matminer.featurizers.structure module
    :undoc-members:
    :show-inheritance:
 
-
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diff --git a/docs/_sources/matminer.featurizers.tests.rst.txt b/docs/_sources/matminer.featurizers.tests.rst.txt
@@ -68,7 +68,6 @@ matminer.featurizers.tests.test\_structure module
    :undoc-members:
    :show-inheritance:
 
-
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diff --git a/docs/_sources/matminer.featurizers.utils.rst.txt b/docs/_sources/matminer.featurizers.utils.rst.txt
@@ -5,6 +5,7 @@ Subpackages
 -----------
 
 .. toctree::
+   :maxdepth: 4
 
    matminer.featurizers.utils.tests
 
@@ -35,7 +36,6 @@ matminer.featurizers.utils.stats module
    :undoc-members:
    :show-inheritance:
 
-
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diff --git a/docs/_sources/matminer.featurizers.utils.tests.rst.txt b/docs/_sources/matminer.featurizers.utils.tests.rst.txt
@@ -28,7 +28,6 @@ matminer.featurizers.utils.tests.test\_stats module
    :undoc-members:
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-
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diff --git a/docs/_sources/matminer.figrecipes.rst.txt b/docs/_sources/matminer.figrecipes.rst.txt
@@ -5,6 +5,7 @@ Subpackages
 -----------
 
 .. toctree::
+   :maxdepth: 4
 
    matminer.figrecipes.tests
 
@@ -19,7 +20,6 @@ matminer.figrecipes.plot module
    :undoc-members:
    :show-inheritance:
 
-
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diff --git a/docs/_sources/matminer.figrecipes.tests.rst.txt b/docs/_sources/matminer.figrecipes.tests.rst.txt
@@ -12,7 +12,6 @@ matminer.figrecipes.tests.test\_plots module
    :undoc-members:
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diff --git a/docs/_sources/matminer.rst.txt b/docs/_sources/matminer.rst.txt
@@ -5,6 +5,7 @@ Subpackages
 -----------
 
 .. toctree::
+   :maxdepth: 4
 
    matminer.data_retrieval
    matminer.datasets

diff --git a/docs/_sources/matminer.utils.data_files.rst.txt b/docs/_sources/matminer.utils.data_files.rst.txt
@@ -12,7 +12,6 @@ matminer.utils.data\_files.deml\_elementdata module
    :undoc-members:
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diff --git a/docs/_sources/matminer.utils.rst.txt b/docs/_sources/matminer.utils.rst.txt
@@ -5,6 +5,7 @@ Subpackages
 -----------
 
 .. toctree::
+   :maxdepth: 4
 
    matminer.utils.data_files
    matminer.utils.tests
@@ -76,7 +77,6 @@ matminer.utils.utils module
    :undoc-members:
    :show-inheritance:
 
-
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diff --git a/docs/_sources/matminer.utils.tests.rst.txt b/docs/_sources/matminer.utils.tests.rst.txt
@@ -44,7 +44,6 @@ matminer.utils.tests.test\_io module
    :undoc-members:
    :show-inheritance:
 
-
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