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Fix Poor2rich/rich2poor permutation 3 of 4 checklist items completed!3249
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Proposal: change the .center() function such that it always respect the axis parameter 3 of 3 checklist items completed!3248
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Static declaration of "rules" for IO in calculators 2 of 4 checklist items completed!3247
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Add cohesive energies to ASE 1 of 1 checklist item completed!3246
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Fix PhaseDiagram special case: single species 4 of 4 checklist items completed!3245
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DOC: add matscipy to ecosystem.rst 1 of 1 checklist item completed!3243
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Accelerate ASE EMT using NumPy more 2 of 2 checklist items completed!3241
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Fix bugs in `PrimitiveNeighborList` when used with `bothways=True` and either `self_interaction=True` or `sorted=True` 3 of 3 checklist items completed!3239
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DOC: MR template update 2 of 2 checklist items completed!3238
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- 1
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Ensure adherence to `directory` for I/O operations with `GenericFileIOCalculator` 2 of 3 checklist items completed!3234
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Remove deprecated siesta command 1 of 3 checklist items completed!3233updated
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Add q-point num to the espresso-ph out 2 of 3 checklist items completed!3231
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- 1
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Misc. import fixes 0 of 3 checklist items completed!3230updated
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Misc. matplotlib-related fixes 1 of 3 checklist items completed!3227updated
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Refactor extxyz and fix various misbehaviours 1 of 3 checklist items completed!3226updated
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Typo in ase.io.espresso_namelist.keys 2 of 3 checklist items completed!3225
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