Sumo

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Enhancements:

- Band structure grid lines can now be customised using a matplotlib
style sheet.

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Sumo is now python 3.6+ only.

Additional bug fixes:

- Fix band structure interpolation with small branches (kavanase)
- Update pymatgen version requirement.

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New testing and release framework.

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Bug fixes:

- Fixed support for pymatgen versions > 2020.10.9.1 (utf)
- Fix yaml phonon-bandstructure plotting (kavanase)

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New features:

- Support for CASTEP: (AJJ)

- kgen: reciprocal-space path generation for electronic and phonon band-structures
- bandplot: band structures (with or without spin-polarisation). Currently no
support for element/orbital projected data (which would require a binary file parser).
- phonon-bandplot: phonon band structures from .phonon files
- dosplot: total-DOS plotting from eigenvalues. Again,
projected-DOS plots are not currently available.

Bug fixes:

- Fix an oversight in the initial CASTEP/kgen implementation when the user provides a non-primitive cell as input.
- Python API fix for spin selection. (kavanase)
- Fix phonon band structure line density selection. (utf)

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New features:

- Plot single spin channel band structures. (kavanase)
- Add scissor option to band plot. (mkhorton)

Bug fixes:

- Fixed ytick labels for band + DOS plots. (utf)
- Fix a bug when the y axis limit is outside the DOS range in band + DOS tapes. (utf)