Bugs
- Bug fix in filter for handling more than 10K kpoints in band filtering
- Fixed issue in fermi3d cross section slicer where arrow was not initialized in non-spin texture case
- Bug fix in fermisurface2d plot's output from skimage contour, requiring interpolation to map back to kmesh
- Bug fix in parsing of high symmetry points grid value
- Added exception handling for scenarios where no fermisurface is found, indicating the structure may not be metallic
- Bug in scriptfermi2d where symmetry operation did not apply in spin texture case
- Fixed bug in ebs_plot due to a typo in grid_linestyle
New Features
- Added publishing back into workflow and completed testing
- Introduced option to export bandsplot data
- Added more configurations for user control over plot parameters
- Added conda env.yml for dependency management
- Implemented GitHub action workflow for automated deployment to PYPI
- Added procar symmetry operations to ElectronicBandStructure
- Allowed QE and ELK to automatically shift by Fermi level
- Modified the QE parser to retrieve Fermi energy from scf.out
Documentation
- Updated _version.py and CHANGELOG.md for the new release
- Enhanced CHANGELOG with recent changes upon package release
Maintenance
- Removed dependencies from requirements.txt and migrated them to pyproject.toml
- Corrected the consistency of QE output results in angstrom to match VASP
- 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
___
___
Old Changelog