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Update _version.py and CHANGELOG.md due to new release
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actions-user committed Oct 3, 2024
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31 changes: 31 additions & 0 deletions CHANGELOG.md
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# 6.3.0 (10-03-2024)

##### Bugs
- Bug fix in filter; was not properly filtering bands with more than 10K kpoints.
- Bug in fermi3d cross section slicer; arrow not initialized in non-spin texture case.
- Bug fix in fermisurface2d plot; skimage contour output was using mesh index points instead of kmesh grid, requiring interpolation.
- Bug fix in parsing of high symmetry points grid value.
- Bug in scriptfermi2d; the symmetry operation did not apply in spin texture case.
- Fix ebs_plot bug due to a typo of grid_linestyle.

##### New Features
- Added conda env.yml.
- Added GitHub action workflow to automate deployment on package release; includes building and deploying to PYPI, prepending recent changes in CHANGELOG, updating the repo version, and updating the release notes.
- Added procar symmetry operations to ElectronicBandStructure.
- Added option to export bandsplot data.
- Added more configurations for user control of plots via *_params for various matplotlib functions.
- Switched behavior to allow QE and ELK to automatically shift by Fermi.
- Changed QE parser to get Fermi energy from scf.out; in nscf, the .xml gets overwritten, but in bands, the value does not.
- Added option to normalize DOS by integral or max, requiring specification of normalize_dos_mode='max' or 'integral' in dosplot.

##### Documentation
- Removed dependencies from requirements.txt, moved them to pyproject.toml.

##### Maintenance
- Modified so that the list of modes comes from cfg/dos.py.
- Merge pull request #158 from alex2shiyu/master.

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## Old Changelog
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4 changes: 2 additions & 2 deletions pyprocar/_version.py
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__version_tuple__: VERSION_TUPLE
version_tuple: VERSION_TUPLE

__version__ = version = '6.2.1'
__version_tuple__ = version_tuple = (6, 2, 1)
__version__ = version = '6.3.0'
__version_tuple__ = version_tuple = (6, 3, 0)

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