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Removed repeated log change for when I was testing auto deployment
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lllangWV authored Oct 3, 2024
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- Made changes to ensure that the list of modes is sourced from cfg/dos.py
- Added option to normalize DOS by integral or max, requiring normalization mode specification in dosplot

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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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Expand Down Expand Up @@ -146,4 +115,4 @@ v2.1 Apr 03,2018 -- Fixed issue with input arguments when using OUTCAR as an inp
v2.0 Mar 21,2018 -- Created PyProcar package version with added support to Abinit. <br />
v0.1.0, June 10, 2013 -- Initial release.<br />

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