Releases: aiidalab/aiidalab-qe
Releases · aiidalab/aiidalab-qe
v23.01.0b0
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #334
- Bump awb version and pinning aiida-core as awb by @unkcpz in #342
Full Changelog: v22.12.1...v23.01.0b0
v22.12.1
What's Changed
Full Changelog: v22.11.1...v22.12.1
v22.11.1
What's Changed
- CI fixes and improvements by @danielhollas in #331
- Bump aiidalab-widgets-base to 2.0.0 beta by @unkcpz in #332
Full Changelog: v22.12.0...v22.11.1
v22.12.0
What's Changed
Full Changelog: v22.11.2...v22.12.0
v22.11.2
What's Changed
- band structure use dos fermi energy if exist by @unkcpz in #306
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #314
- Set relax type none and no properites to run SCF only by @unkcpz in #274
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #315
- Mig/2.1 by @unkcpz in #271
- Bring ci test back which suppressed by mistake by @unkcpz in #317
- Remove # symbol in requirements which break the deps check by @unkcpz in #321
- run_relax should be used for get pw-parameters by @unkcpz in #319
- Bandswidget bump to 0.5.0, make the data format compatible by @unkcpz in #313
- Bump awb version to support new nb backend by @unkcpz in #324
- Fix the bumpver issue of src workchain by @unkcpz in #310
Full Changelog: v22.11.1...v22.11.2
v22.11.2a0
What's Changed
- band structure use dos fermi energy if exist by @unkcpz in #306
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #314
- Set relax type none and no properites to run SCF only by @unkcpz in #274
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #315
- Mig/2.1 by @unkcpz in #271
- Bring ci test back which suppressed by mistake by @unkcpz in #317
- Remove # symbol in requirements which break the deps check by @unkcpz in #321
- run_relax should be used for get pw-parameters by @unkcpz in #319
Full Changelog: v22.11.1...v22.11.2a0
v22.11.0
v22.09.1
v22.09.0
What's Changed
- Move cell tab to front in structure viewer by @unkcpz in #265
- Not pop run_bands/pdos from builder parameters by @unkcpz in #276
- Fail if process exits with non-zero status by @danielhollas in #270
- CalcJobOutputFollower: Fetch retrieved output file if available by @danielhollas in #269
- Text review and update by @unkcpz in #281
- More text and typo fixes by @unkcpz in #296
- bump conda installed qe version to latest 7.0 by @unkcpz in #285
New Contributors
- @danielhollas made their first contribution in #270
Full Changelog: v22.08.0...v22.09.0
v22.08.0
What's Changed
- Refactor installation routines and allow to run them from the CLI. by @csadorf in #251
- qeapp.yml install as package_data by @unkcpz in #256
- Fix: Pure relaxation fails by @unkcpz in #260
- Set installed traitlets of pseudo/qe install widget when it's done by @unkcpz in #262
Full Changelog: v22.07.0...v22.08.0