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hack all calculators to provide free_energy 0 of 4 checklist items completed!3118
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Unit test for Optimizer restart functionality 0 of 4 checklist items completed!3117
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- 11
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Test of VASP INCAR writing 2 of 4 checklist items completed!3116
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- 5
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Made two tests for potential mapping with the 'setups' parameter and pulled out a function from the huge GenerateVaspInput class. 2 of 2 checklist items completed
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- 10
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MAINT: Run `calculators` pipeline nightly (scheduled) + Enable `windows_test` manually 1 of 4 checklist items completed!3114
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- 1
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- 1
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Modify the default multiplicity to be None in `CP2K` calculator 3 of 4 checklist items completed!3112
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- 6
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Refactor force_consistent in optimizers 1 of 4 checklist items completed!3110
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- 3
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!3109
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- 1
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exciting/bandstructure 3 of 4 checklist items completed!3108
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- 5
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Enable gitlab test coverage visualization with xml coverage report. 2 of 4 checklist items completed!3107
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- 8
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add wisdom on filters vs md 2 of 4 checklist items completed!3106updated
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Kpoints writer refactoring for VASP 3 of 3 checklist items completed
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- 3
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Implement elasticity tensor 0 of 4 checklist items completed!3104
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- 11
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Draft: Adding ruff support for ASE 2 of 4 checklist items completed!3103
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Unify treatment of ASE-LAMMPS coordinate conversion between `LAMMPSlib` and `LAMMPS` 3 of 4 checklist items completed!3102
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- 2
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Leverage dict comprehensions more 1 of 4 checklist items completed!3101
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`sourcery --enable use-dict-items` 1 of 4 checklist items completed!3100updated