Commits · master · paptigshiyf / ase · GitLab

Dec 28, 2024
- Merge branch 'ase-3.24.0' into 'master' · 200c28e7
  Ask Hjorth Larsen authored Dec 28, 2024
  200c28e7
- bump version to 3.25.0b1 · 2805ae41
  Ask Hjorth Larsen authored Dec 28, 2024
  
  2805ae41
- ASE version 3.24.0 · 3dd076aa
  Ask Hjorth Larsen authored Dec 28, 2024
  
  View commits for tag 3.24.0 3.24.0
  
  3dd076aa
- Merge branch 'release-notes' into 'master' · 6afcb83b
  Ask Hjorth Larsen authored Dec 28, 2024
  6afcb83b
- Merge branch 'releasenotes-toctree' into 'release-notes' · 2f679312
  Adam Jackson authored Dec 28, 2024
  2f679312
- Merge branch 'remove-unused-variable' into 'master' · e4b20015
  Ask Hjorth Larsen authored Dec 28, 2024
  e4b20015
- remove redundant definition of atoms object · 5aab428d
  Ask Hjorth Larsen authored Dec 28, 2024
  
  5aab428d
- add toctree for release notes · b5a0606f
  Ask Hjorth Larsen authored Dec 28, 2024
  
  b5a0606f
Dec 27, 2024
- Merge branch 'fix-find-optimal-cell-shape' into 'master' · d9c824e6
  Yuji Ikeda authored Dec 27, 2024
  d9c824e6
- Select the orientation closest to the target · 61463390
  Yuji Ikeda authored Nov 14, 2024
  
  61463390
- Merge branch 'gprd_sella_bench' into 'master' · 7f20eb5b
  Ask Hjorth Larsen authored Dec 27, 2024
  7f20eb5b
- Merge branch 'efficient-find-optimal-cell-shape' into 'master' · 16799666
  Ask Hjorth Larsen authored Dec 27, 2024
  16799666
- Merge branch 'master' into efficient-find-optimal-cell-shape · 00cf98b0
  Ask Hjorth Larsen authored Dec 27, 2024
  
  00cf98b0
Dec 26, 2024
- Clean up some of the function references in detail release notes · b1cee10d
  Adam Jackson authored Dec 24, 2024
  b1cee10d
- Break out detailed release notes to a new file · 34b06139
  Adam Jackson authored Dec 24, 2024
  
  34b06139
- Update release notes to Oct 21 · 4fc52955
  Adam Jackson authored Dec 16, 2024
  
  4fc52955
- Update release notes to Aug 18 · 5b8e7f4b
  Adam Jackson authored Dec 16, 2024
  
  5b8e7f4b
- Update release notes to June 25 · 4ded3023
  Adam Jackson authored Dec 16, 2024
  
  4ded3023
Dec 22, 2024
- Merge branch 'bussi-on-verlet' into 'master' · 29fc65bf
  Ask Hjorth Larsen authored Dec 22, 2024
  29fc65bf
- Merge branch 'cellaware-with-mask' into 'master' · 92481813
  Ask Hjorth Larsen authored Dec 22, 2024
  92481813
Dec 20, 2024
- Merge branch 'fix-mpl-warning' into 'master' · cf06a514
  Ask Hjorth Larsen authored Dec 20, 2024
  cf06a514
Dec 19, 2024
- Merge branch 'castep-magnetic-moments' into 'master' · 76f5e621
  Yuji Ikeda authored Dec 19, 2024
  76f5e621
- Fix to use `seed = 'dryrun'` · b516898d
  Yuji Ikeda authored Dec 19, 2024
  
  b516898d
- Set magnetic moments also in the dry-run mode · a715785d
  Yuji Ikeda authored Dec 19, 2024
  
  a715785d
- Remove unused `force_write` · 0d7d284a
  Yuji Ikeda authored Dec 19, 2024
  
  0d7d284a
- ruff · 5c6bafe9
  Mikael Kuisma authored Dec 19, 2024
  
  5c6bafe9
- Respect mask of the unit cell filter, when analysing convergence and plotting. · 52c81021
  Mikael Kuisma authored Dec 19, 2024
  
  52c81021
Dec 18, 2024
- Avoid matplotlib warning · 2f4beaee
  Jens Jørgen Mortensen authored Dec 18, 2024
  
  2f4beaee
- Merge branch 'master' of gitlab.com:ase/ase · 2bb55c6d
  Mikael Kuisma authored Dec 18, 2024
  
  2bb55c6d
Dec 17, 2024
- Remove `self.communicator` · 5458a4e2
  Yuji Ikeda authored Dec 18, 2024
  5458a4e2
- Reformat · 34631a18
  Yuji Ikeda authored Dec 18, 2024
  
  34631a18
- Inherit `VelocityVerlet` · 7c2f2adc
  Yuji Ikeda authored Dec 17, 2024
  
  7c2f2adc
- Add comment · ce7d5c85
  Yuji Ikeda authored Dec 17, 2024
  
  ce7d5c85
- Use descriptive variable name · 20c953a7
  Yuji Ikeda authored Dec 17, 2024
  
  20c953a7
- Merge branch 'rattle-bussi' into 'master' · fb753fc0
  Ask Hjorth Larsen authored Dec 17, 2024
  fb753fc0
- Merge branch 'pre-release-fixes' into 'master' · ab3002e0
  Ask Hjorth Larsen authored Dec 17, 2024
  ab3002e0
Dec 16, 2024
- Merge branch 'fix-unused-variables' into 'master' · e2ef78f4
  Ask Hjorth Larsen authored Dec 16, 2024
  e2ef78f4
- Merge branch 'fix-1581' into 'master' · 26f6b858
  Ask Hjorth Larsen authored Dec 16, 2024
  26f6b858
- Fix argument order · 5729b626
  Yuji Ikeda authored Dec 16, 2024
  
  5729b626
- Add `test_constraints` · cbaa3464
  Yuji Ikeda authored Dec 16, 2024
  
  cbaa3464