Releases: WMD-group/PyTASER
Releases · WMD-group/PyTASER
2.3.0
- Updates to plotting (cleaner plots and titles to include scientific notation)
- Updated documentation and tutorial workflows (according to JOSS review
suggestions <https://github.com/openjournals/joss-reviews/issues/5999>
_ ). - Add GH Actions linting workflow
- Update installation and setup instructions (remove redundant setup.py issues).
2.2.0
- Initial version of differential absorption spectra (DAS) functionality from @LucasGVerga.
- Updates to GitHub Actions tests (now tests macos, ubuntu and windows).
2.1.4
- Addition of MAPI example outputs download instructions to DFT example by @youngwonwoo.
- Update to
from_dict()
method forTas
objects by @kavanase & @LucasGVerga
mapi_example
Repo polish 🧽
2.1.3
- Change of np.arange to np.linspace to avoid e_grid arrays with sizes different from NEDOS. (see the warning on numpy.arange documentation)
2.1.2
- Remove broken links from docs
2.1.1
- Remove broken link from docs
2.1.0
- Add
bg
option toTASGenerator.from_vasp_outputs()
to allow scissor shifting of the bandgap to match experiment. - Implement vectorised band filtering functions, massive speedup in processing times.
- Implement memory sharing for large arrays within multiprocessing.
2.0.1
- Minor documentation and website updates.
2.0.0
- Reduce the sum over band transitions to the energy mesh (min(-6, -energy_max), max(6, energy_max)) to
make parsing of VASP optics more efficient. - Switch to semantic versioning.