Shakenbreak

Latest version: v23.6.23

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23.06.23

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- 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

23.06.03

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

23.04.27

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

23.04.26

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- 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`

23.02.08

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

23.02.02

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- 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

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