Releases: nanotech-empa/aiidalab-empa-molecules
Releases · nanotech-empa/aiidalab-empa-molecules
v23.06.2b0
What's Changed
- Migrate the app to AiiDA 2.x by @yakutovicha in #22
Full Changelog: v23.06.1...v23.06.2b0
v23.06.1
v22.03.0a0
What's Changed
- Add a dropdown to select orbitals for plotting. by @yakutovicha in #12
- STM simulations. by @yakutovicha in #11
Full Changelog: v22.01.0a1...v22.03.0a0
v22.01.0a1
What's Changed
- Add more functionals, basis sets and dispersion corrections. by @yakutovicha in #1
- Work on the CI. by @yakutovicha in #7
- Automate release with bumpver by @yakutovicha in #8
- Add search results notebook. by @yakutovicha in #9
Full Changelog: https://github.com/nanotech-empa/aiidalab-empa-molecules/commits/v22.01.0a1