Releases: maurergroup/dfttoolkit
Releases · maurergroup/dfttoolkit
v0.4.0
What's Changed
- Update project information and CI by @dylanbmorgan in #78
- Automatically parse default or specified convergence parameters when visualising FHI-aims convergence by @dylanbmorgan in #82
- Vibrations thermal dispalcement by @lukas-hoermann in #103
Full Changelog: v0.3.0...v0.4.0
v0.3.0
What's Changed
- Output spin moment by @dylanbmorgan in #48
- FHI-aims Parameter Enhancements by @dylanbmorgan in #50
- Vibrations refactor by @lukashoermann200 in #59
New Contributors
- @dependabot made their first contribution in #18
- @lukashoermann200 made their first contribution in #59
Full Changelog: v0.2.1...v0.3.0
v0.2.1
- Improved coverage
- Minor bug fixes