v23.1.1

• Add 'Studies using ShakeNBreak' and 'How to Cite' to readme and docs.

v22.12.2

• Add JOSS badge to docs

v22.12.1

• Minor updates to paper.md and paper.bib

v22.11.6

Main changes:

• Add example notebook showing how to generate interstitials and apply SnB to them.
• Fix typo in example notebook and docs.
• Add comment about font installation to Installation guide.
• Update paper.md with suggestions from editor.

v22.11.5

Add docs plots.

v22.11.4

Docs tutorial update.

v22.11.3

Main changes:

• Refactor :code:Distortions() to a list or simple-format dict of :code:Defect objects as input.
  Same for :code:Distortions.from_structures()
• Update defect naming to :code:{Defect.name}_s{Defect.defect_site_index} for vacancies/substitutions and
  :code:{Defect.name}_m{Defect.multiplicity} for interstitials. Append "a", "b", "c" etc in cases of inequivalent
  defects
• Make :code:ShakeNBreak compatible with most recent :code:pymatgen and :code:pymatgen-analysis-defects packages.
• Update legend format in plots and site index/multiplicity labelling, make default format png.
• Update default charge state setting to match :code:pymatgen-analysis-defects oxi state + padding approach.
• A lot of additional warning and error catches.
• Miscellaneous warnings and docs updates.

v22.11.2

Main changes:

• Refactor ShakeNBreak to make it compatible with pymatgen>=2022.8.23. Now Distortions takes in
  pymatgen.analysis.defects.core.Defect objects.
• Add Distortions.from_dict() and Distortions.from_structures() to generate defect distortions from a
  dictionary of defects (in doped format) or from a list of defect structures, respectively.

v22.11.1

Main changes:

• Update rattling procedure; :code:stdev be automatically set to 10% bulk bond length and :code:seed alternated for different
  distortions (set to 100*distortion_factor) to avoid rare 'stuck rattle' occurrences.
• Refactor :code:pickle usages to :code:JSON serialisation to be more robust to package (i.e. pymatgen) updates.
• Update :code:snb-regenerate to be more robust, can be continually rerun without generating duplicate calculations.
• Update :code:snb-run to consider calculations with >50 ionic steps and <2 meV energy change as converged.
• Minor changes, efficiency improvements and bug fixes.

v22.10.2

Just bumping version number to test updated GH Actions pip-install-test workflow.