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Further Siesta refactoring steps 0 of 3 checklist items completed!3279
- Merged
- 7
updated -
Extract most of siesta fdf processing as standalone features 1 of 4 checklist items completed!3278
- Merged
- 1
updated -
Draft: make npt to work with both upper and lower triangular matrices 0 of 4 checklist items completed!3277
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Siesta output reader 0 of 4 checklist items completed!3276
- Merged
- 1
updated -
CIF: Fix handling of spacegroups with quotation marks 2 of 4 checklist items completed!3275
- Merged
- 3
updated -
Bump to scipy 1.6.0; fix deprecation using cumulative_trapezoid 0 of 4 checklist items completed!3274
- Merged
- 1
updated -
More siesta tests in lite job 0 of 4 checklist items completed!3273
- Merged
- 1
updated -
Remove legacy Siesta 3.2/BaseSiesta 0 of 4 checklist items completed!3272
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- 1
updated -
Siesta: Remove more fluff ("allowed" parameters) 1 of 4 checklist items completed!3271updated
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Siesta: Remove fortranfile stuff 3 of 4 checklist items completed!3270
- Merged
- 2
updated -
Remove unused/broken-in-siesta5 code 3 of 4 checklist items completed!3269
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- 1
updated -
Update TURBOMOLE calculator 2 of 4 checklist items completed!3268
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Update TURBOMOLE calculator 3 of 4 checklist items completed!3267
- Closed
updated -
Use f-strings for VASP `CalculationFailed` message 2 of 4 checklist items completed!3266
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ENH: Espresso: improved documentation 0 of 4 checklist items completed!3265
- Merged
- 3
updated -
Fix `calculators` pipeline to be passed 1 of 1 checklist item completed!3264
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- 1
updated -
ENH: Espresso: write_fortran_namelist does not take "pw" as default binary 3 of 4 checklist items completed!3263
- Merged
- 3
updated -
ase/ase: Issue 933, https://gitlab.com/ase/ase/-/issues/933 4 of 4 checklist items completed!3262
- Merged
- 1
updated -
Fix ValueError while writing atoms with stress tensor to extxyz 4 of 4 checklist items completed!3261
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- Merged
- 1
- Approved
updated