v0.0.9
github-actions
released this
08 Mar 21:36
·
3 commits
to ae76c5beaebba6736ca8ee1d01312d92e6e36e80
since this release
New features:
- Defect formation energy workflow with VASP implementation (@jmmshn, #215)
- Job to retrieve a structure from the MP API at run-time (@mkhorton, #176)
Enhancements:
- Documentation of phonon workflow (@QuantumChemist, #232)
- Refactor defect code (@jmmshn, #214)
- Use
ruff
for linting (@janosh, #250)
Bug fixes:
- Use correct k-point density in phonon workflow (@JaGeo, #177)
- Fix use of
expanduser
path (@nwinner, #180) - Correct
calcs_reversed
to be in the proper order (@Zhuoying, #182) - Bugfix for
store_volumetric_data
(@jmmshn, #212)
New Contributors
- @mkhorton made their first contribution in #176
- @nwinner made their first contribution in #180
- @Zhuoying made their first contribution in #182
- @QuantumChemist made their first contribution in #232
Full Changelog: v0.0.8...v0.0.9