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Draft: Adding ruff support for ASE 2 of 4 checklist items completed!3103
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Draft: defect and supercell setup utilities 4 of 13 checklist items completed!2532
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ENH: add an optional timeout argument to Profile.run() 2 of 2 checklist items completed!3237
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hack all calculators to provide free_energy 0 of 4 checklist items completed!3118
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Draft: TST: New tests for Optimizer class and subclasses 4 of 4 checklist items completed!2923
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!2619
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WIP: Interactive handling of Turbomole's define 3 of 12 checklist items completed!2075