.. title:: MatMiner Changlog


==================
matminer Changelog
==================

**v0.1.9**

* overhaul of data API classes (L. Ward)
* change to oxidation-state dependent classes, now require oxidation set in advance (L. Ward)
* Ewald site and structure energy featurizers (L. Ward)
* AtomicOrbital featurizer (M. Dylla)
* Updates to OP fingerprints based on new bcc renormalization (N. Zimmermann)
* fix to include sample data sets in pip install (A. Jain, K. Bostrom)
* add several utility functions for turning strings to compositions, dicts/jsons to pymatgen objects, and quickly adding oxidation state to structure (A. Jain)
* code cleanups (L. Ward, A. Jain)

**v0.1.8**

* extend Miedema model to ternaries and higher (Q. Wang, A. Faghaninia)
* cleanups/refactor to DOS featurizer (A. Faghaninia)

**v0.1.7**

* lots of code cleanup / refactoring / review, including trimming of unused / moved packages (A. Jain)
* new Chemenv structure fingerprint (N. Zimmermann)
* various updates to BSFeaturizer (A. Faghaninia)
* cleanup / rework of DOSFeaturizer (A. Faghaninia)
* Updated citation for OFM paper (L. Ward)
* CNSiteFingerprint goes to CN=16 by default, includes two presets ("cn" and "ops") (A. Jain)
* stats use double colon instead of double underscore for params (A. Jain)
* Various cleanups to Miedema featurizer (Q. Wang, A. Faghaninia, A. Dunn)


**v0.1.6**

* new CrystalSiteFingerprint and CNSiteFingerprint (A. Jain)
* Miedema model (Q. Wang)
* Voronoi index site fingerprint (Q. Wang)
* updates to CitrineDataRetrieval (S. Bajaj)
* updates to BandStructureFeaturizer (A. Faghaninia)
* allow featurize_dataframe() to ignore errors (A. Dunn)
* some patches of DOSFeaturizer (A. Jain)

**v0.1.5**

* new Site and Structure fingerprints based on order parameters (N. Zimmermann)
* DOSFeaturizer (M. Dylla)
* Structure fingerprint can do cations/anions only (A. Jain)
* include the degeneracy of the CBM/VBM in BandFeaturizer (A. Faghaninia)
* fixes / updates to CitrineDataRetrieval (S. Bajaj)
* more property stats (L. Ward)
* fixes to AGNIFingerprint (L. Ward)
* FigRecipes cleanup (A. Dunn)
* updated examples, docs (A. Dunn)
* various bugfixes, code cleanup (A. Jain)

**v0.1.4**

* add a band structure featurizer (A. Faghaninia)
* add global structure featurizer (A. Jain)
* improve CoulombMatrix, SineCoulombMatrix, and OrbitalFieldMatrix featurizers (K. Bostrom)
* fix some code structure / interfaces (A. Faghaninia, A. Jain)
* bug fixes (A. Jain, A. Faghaninia, L. Ward)
* code cleanup (A. Jain)
* doc updates (A. Dunn, A. Jain, K. Bostrom)

**v0.1.3**

* remove git-lfs
* updated CSV data sets (K. Bostrom)
* better oxidation state determination in multiple composition descriptors
* refactor structure descriptors
* multiple fixes to cohesive energy
* fixes to data loaders
* fix complex Mongo retrieval queries, better logic for query projections
* more unit tests
* enforce lower case feature names
* sort data by atomic number not electronegativity in data getters, this will avoid pernicious behavior
* many minor cleanups, bug fixes, and consistency fixes


**v0.1.2**

* Several new structure fingerprint methods (L. Ward, K. Bostrom)
* Refactor structure descriptors into new OOP style (N. Zimmermann)
* move large files to git-lfs (K. Bostrom, A. Jain)
* update example notebooks to new style
* misc. cleanups and bug fixes

**v0.1.1**

* refactor and redesign of codebase to be more OOP (J. Chen, L. Ward)
* Py3 compatibility (K. Mathew)
* Element fraction feature (A. Aggarwal)
* misc fixes / improvements (A. Jain, J. Chen, L. Ward, K. Mathew, J. Frost)

**v0.1.0**

* Add MPDS data retrieval (E. Blokhin)
* Add partial RDF descriptor (L. Ward)
* Add local environment motif descriptors (N. Zimmermann)
* fix misc. bugs and installation issues (A. Dunn, S. Bajaj, L. Ward)

For changelog before v0.1.0, consult the git history of matminer.
