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Releases: aiidalab/aiidalab-qe

v23.01.0b0

26 Jan 09:58
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Full Changelog: v22.12.1...v23.01.0b0

v22.12.1

12 Dec 16:43
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  • The api change after bump the widget base by @unkcpz in #333

Full Changelog: v22.11.1...v22.12.1

v22.11.1

12 Dec 15:00
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Full Changelog: v22.12.0...v22.11.1

v22.12.0

01 Dec 14:38
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  • fix issue thot CalcJobNodeViewerWidget use wrong value by @unkcpz in #327

Full Changelog: v22.11.2...v22.12.0

v22.11.2

30 Nov 09:56
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  • 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

28 Nov 22:24
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Full Changelog: v22.11.1...v22.11.2a0

v22.11.0

01 Nov 16:36
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  • Basic cell editor by @unkcpz in #282
  • Bugfix: bump aiidalab-widget-base version for cell convert feature by @unkcpz in #305
  • Acknowledgements required by BigMAP by @unkcpz in #309
  • New version for src workchain by @unkcpz in #300

Full Changelog: v22.09.1...v22.11.0

v22.09.1

22 Sep 12:35
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  • Change spin/electronic type setting to toggle by @unkcpz in #297
  • bump aiidalab-widgets-base version to 1.4.0 by @unkcpz in #292

Full Changelog: v22.09.0...v22.09.1

v22.09.0

20 Sep 11:16
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New Contributors

Full Changelog: v22.08.0...v22.09.0

v22.08.0

08 Aug 20:13
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  • 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