Releases: nanotech-empa/aiidalab-empa-surfaces
Releases · nanotech-empa/aiidalab-empa-surfaces
v1.0.0b8
What's Changed
- Export structure notebook: use
uuid
instead ofpk
by @yakutovicha in #163 - Added more exception types to the try/except to pre-evaluate CVs by @cpignedoli in #168
- Fix bug by @cpignedoli in #173
- Added rotate_frames fixes #167 by @cpignedoli in #174
- Unify the DFT configuration part of the notebooks by @yakutovicha in #166
- Several renamings and text corrections by @yakutovicha in #176
- Remove the "Create input" button by @yakutovicha in #177
- Make sure the workflow description widget works by @yakutovicha in #178
- Improve the appearance of the reactions app by @yakutovicha in #180
- Bump aiida-nanotech-empa to
v1.0.0b4
by @yakutovicha in #181
Full Changelog: v1.0.0b7...v1.0.0b8
v1.0.0b7
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #157
- Adapted the slab generation by @cpignedoli in #158
- SPM notebook: temporary disable restart. by @yakutovicha in #159
- Bump
aiida-nanotech-empa
tov1.0.0b2
by @yakutovicha in #161
Full Changelog: v1.0.0b6...v1.0.0b7
v1.0.0b6
What's Changed
- Update
aiida-nanotech-empa
dependency by @yakutovicha in #156
Full Changelog: v1.0.0b5...v1.0.0b6
v1.0.0b5
What's Changed
- Fix a bug (sklearn import) in the cdxml importer. by @yakutovicha in #155
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #154
- Fix/constraints by @cpignedoli in #153
- Set protocol as a separate input for the work chains by @yakutovicha in #152
Full Changelog: v1.0.0b4...v1.0.0b5
v1.0.0b4
What's Changed
- Add NaCl(100) to the slab builder by @yakutovicha in #150
- Explicitly switch on/off cell optimisation, fix bugs. by @yakutovicha in #151
Full Changelog: v1.0.0b3...v1.0.0b4
v1.0.0b3
v1.0.0b2
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #144
- Fix the
header
function. by @yakutovicha in #145
Full Changelog: v1.0.0b1...v1.0.0b2
v1.0.0b1
What's Changed
setup.cfg
: add documentation URL. by @yakutovicha in #143
Full Changelog: v1.0.0b0...v1.0.0b1
v1.0.0b0
What's Changed
- Feature/resources by @cpignedoli in #118
- Enable OPTIMADE structure importer by @eimrek in #123
- Replace CodeDropdown with ComputationalResourcesWidget. by @yakutovicha in #124
- Update pre-commit-config by @yakutovicha in #128
- Update README by @yakutovicha in #141
- Update pre-commit config and
setup.cfg
by @yakutovicha in #142
New Contributors
- @pre-commit-ci made their first contribution in #127
Full Changelog: v0.7.4...v1.0.0b0
v0.7.5
Full Changelog: v0.7.4...v0.7.5