* 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)
* Bug fixes (shyuep, mfherbst) * More type hint annotations (shyuep) * Improvements to BabelMolAdaptor (smheidrich) * Convenience Transformations for AdsorbateSiteFinder (mkhorton)
2019.7.21
Not secure
* Add CubicSupercellTransformation and PerturbedSupercellsTransformation (rees-c, utf) * Add interface for ShengBTE (rees-c, utf) * Add interface for Vampire (ncfrey) * Improved Lobster interface (JaGeo) * Bug fixes (sthartman, dwinston, utf) * New functionality for calculation of Heisenberg exchange parameters (ncfrey) * Improvements to Miller indices handling and Lattice (CifLord)