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Make `Gaussian` calculator tests pass again 3 of 3 checklist items completed!3299
- Merged
- 1
updated -
Fix tests for Python 3.12 1 of 1 checklist item completed!3298
- Merged
- 3
updated -
- Closed
- 1
updated -
Make `Siesta` work with `DOS` 4 of 4 checklist items completed!3295
- Merged
- 1
updated -
Draft: Wannier bands 4 of 4 checklist items completed!3294
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Update npt.py 0 of 3 checklist items completed!3293
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Update npt.py. 0 of 3 checklist items completed!3292
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DOC: Fixed formatting for ``allow_shared_calculator`` 1 of 1 checklist item completed!3291
- Merged
- 1
updated -
Ensure the GULP calculator respects `directory` 3 of 4 checklist items completed!3290updated
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Removed unnecessary else statement in the read_ion function 2 of 4 checklist items completed!3289
- Merged
- 4
- Approved
updated -
Move `FixSymmetry` to constraints module and fix the `.todict()` method 4 of 4 checklist items completed!3288
- Merged
- 3
- 1
updated -
Remove hardcoded worlds and world.barriers from optimize 4 of 4 checklist items completed!3287
- Merged
- 17
updated -
Add the missing `todict()` method on `FixSymmetry` 4 of 4 checklist items completed!3286updated
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raise ValueError if one tries to write 'True' or 'False' in a kvp to a db 2 of 4 checklist items completed!3285
- Merged
- 1
updated -
Implementation of FIRE2.0 and ABCFIRE 3 of 4 checklist items completed!3284
- Merged
- 19
- 1
updated -
Make atoms-wrapper for counting steps optimizable 0 of 4 checklist items completed!3283
- Merged
- 1
updated -
BUG: fix DFTB+ 24.1 compatibility #1438 1 of 4 checklist items completed!3282
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attempt to fix windows failure 0 of 4 checklist items completed!3281updated
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!3280