* IRSpectra class (henriquemiranda) * Much faster get_neighbors written in Cython (chc273). * VolumetricData allows for sum or subtraction of data with different structures, with warnings.
2019.9.16
Not secure
* Updates to annotation, docstrings, etc. Linting service now provided on Github Actions as well as CircleCI.
2019.9.12
Not secure
* Massive updates to type annotations, especially for core classes. * pycodestyle, pydocstyle and mypy will henchforth be enforced for all new PRs.
2019.9.8
Not secure
* Supplemental release to address missing incar_parameters.json
2019.9.7
Not secure
* New fast Pourbaix algorithm (montoyjh) * VASP Incar parameter checking (CifLord) * New VASP input set for Lobster, read support for GROSSPOP file (JaGeo) * New CombinedData class for LAMMPS (htz1992213) * Improvements to molecule fragmenter (samblau) * Various bug fixes and improvements (dongsenfo, shyuep, ardunn, nathan-diodan, rkingsbury, kmu)
2019.8.23
Not secure
* pycodestyle now enforced, except on tests. Developers should install pycodestyle and the pre-commit hook (copy pre-commit to .git/hooks) provided in the repo to check before commits. CI now checks for code style and PRs must pass pycodestyle. * chemsys str input now allowed in get_entries_in_chemsys (rkingsbury) * ComputedEntry and subclasses now support a normalize(). * Speed improvements in fragmeter using igraph. (samblau)