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MAINT: Add `write_castep_geom` and `write_castep_md` etc. 3 of 3 checklist items completed!3229
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ENH Phonons: New class method to save results & new class to enable future analysis 3 of 3 checklist items completed!3215
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BUG: Fix #1382 1 of 3 checklist items completed!3172
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Draft: hubbard + refactoring + more data passed via pseudopotentials dict argument 1 of 1 checklist item completed!3138
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Draft: Fix instances when self.command are used 3 of 5 checklist items completed!3136
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hack all calculators to provide free_energy 0 of 4 checklist items completed!3118
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Draft: Adding ruff support for ASE 2 of 4 checklist items completed!3103
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Draft: Calculator plugins 0 of 4 checklist items completed!3087
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Update deprecated Kim commands for lammps 4 of 4 checklist items completed!3026
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Draft: ENH: Enable SciPyOptimizer config. in constructor 2 of 4 checklist items completed!2929
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Draft: TST: New tests for Optimizer class and subclasses 4 of 4 checklist items completed!2923
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!2899