3.1.0

• Update dependencies, as hiphive=1.2 has been released, making ShakeNBreak compatible with
  python=3.11🎉

3.0.0

• Switch to semantic versioning
• Update rattling functions to handle primitive bulk materials as well as supercells.
• Add check to snb-run if there are multiple OUTCARs present with one or less ionic steps, and if
  this is also the case for the current run -> warn the user.
• Small fixes, formatting and docs updates.

v23.6.2

• Add snb-mag function, and automatically check the magnetisation from ISPIN = 2 OUTCAR files when continuing
  relaxations with snb-run (and change to ISPIN = 1 if magnetisation is negligible).
• Update handling of minimum distances and oxidation states, to deal with single-atom primitive unit cells and
  systems where pymatgen cannot guess the oxidation state (e.g. single-elements, intermetallics etc).
• Docs updates

v23.6.1

• Make parsing of DefectEntrys more robust.
• Update dependencies (now supporting python=3.10 due to numba updates)
• Refactor CITATION.cff to CITATIONS.md
• Update docs, formatting and cleanup.

v23.4.2

• Update numpy requirement to numpy>=1.21.2 to fix numpy.typing.NDArray import error.
• Add News & Views free-to-read link to docs

v23.4.1

• Updates to snb-run (copy job from parent directory if present, switch to ALGO = All if poor electronic convergence...)
• Make format_defect_name() more robust
• Update docs and README.md with published article links
• Formatting and cleanup
• Make oxidation state guessing more efficient (previously was causing bottleneck with large cells)
• Fix oxidation state guessing for rare elements
• Add note to Tips docs page about bulk phase transformation behaviour
• Refactor to json rather than pickle

v23.2.2

• Change numpy version requirement in docs/requirements.txt to numpy>=1.21 to work with numpy.typing.NDArray.

v23.2.1

• Refactor Distortions() class to take in DefectEntry objects as input, rather than Defect objects, to be
  compatible with pymatgen-analysis-defects.
• Fix ticks and ticklabels in plots

v23.1.3

• Specify pandas version in requirements.txt to equal or higher than 1.1.0
• Refactor snb-regenerate to execute when no arguments are specified (rather than showing help message)

v23.1.2

• Specify pandas version in requirements.txt to equal or higher than 1.1.0
• Refactor snb-regenerate to execute when no arguments are specified (rather than showing help message)