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Add calc.write for DFTD3 3 of 4 checklist items completed!3328
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Apply "UP" ruff fixes 0 of 4 checklist items completed!3324
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Apply ruff "SIM" fix 0 of 4 checklist items completed!3323
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Allow for the user to override the templates in GenericFileIOCalculators 1 of 3 checklist items completed!3313 3.23.0
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- Closed
- 1
updated -
Update npt.py. 0 of 3 checklist items completed!3292
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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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Fix ValueError while writing atoms with stress tensor to extxyz 4 of 4 checklist items completed!3261
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#1436 OpenMX Spin input write: Preserve the sign of magnetic moments in the collinear spin case. 0 of 1 checklist item completed!3258
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- Closed
updated -
!3200
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Explicit symmetrize 1 of 3 checklist items completed!3192
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Draft: ENH: Surface termination 1 of 3 checklist items completed!3191
- Closed
- 2
updated -
!3186
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!3185
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!3180
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!3178
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