v0.2.5
What's Changed
Enhancements
Bug Fixes
Other Changes
- Fix bug for range selection by @robinzyb in #1
- fix typo by @robinzyb in #2
- fix typo by @robinzyb in #3
- add atom density analysis by @robinzyb in #4
- add density plot and average density by @robinzyb in #5
- Add methods for rutile (110) by @ruihao69 in #6
- version update by @robinzyb in #7
- Devel by @robinzyb in #8
- Devel by @robinzyb in #9
- Create LICENSE by @robinzyb in #10
- implementing dissociation degree analysis method by @appassionate in #12
- Devel by @robinzyb in #13
- Devel by @robinzyb in #14
- Update doc using jp-book by @robinzyb in #15
- New Features: add cli tools and fix bugs for band_align by @robinzyb in #16
- New Feature: workflows for calculate dielectric constant by @robinzyb in #17
- New Feature: workflow for calculating dielectric constant by @robinzyb in #18
- Finished the documentation of workflow by @robinzyb in #19
- merge to main by @robinzyb in #20
- Devel by @robinzyb in #22
- Fix rutile1p11 edge utilities by @ruihao69 in #21
New Contributors
- @robinzyb made their first contribution in #1
- @ruihao69 made their first contribution in #6
- @appassionate made their first contribution in #12
Full Changelog: https://github.com/robinzyb/ECToolkits/commits/v0.2.5