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Siesta: Remove more fluff ("allowed" parameters) 1 of 4 checklist items completed!3271updated
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Siesta: Remove fortranfile stuff 3 of 4 checklist items completed!3270
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Remove unused/broken-in-siesta5 code 3 of 4 checklist items completed!3269
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ENH: Espresso: improved documentation 0 of 4 checklist items completed!3265
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Fix `calculators` pipeline to be passed 1 of 1 checklist item completed!3264
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ENH: Espresso: write_fortran_namelist does not take "pw" as default binary 3 of 4 checklist items completed!3263
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ase/ase: Issue 933, https://gitlab.com/ase/ase/-/issues/933 4 of 4 checklist items completed!3262
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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!3259
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extxyz writer customizable labels for calculator properties 4 of 4 checklist items completed!3257
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BUG: ONETEP pseudopotential guess finds too many entries 2 of 4 checklist items completed!3255
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ENH: additional cards for Espresso write input 3 of 4 checklist items completed!3254updated
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Read CONTCAR/POSCAR with parallel=False in vasp_outcar_parsers.py to avoid parallel deadlock. 2 of 2 checklist items completed!3253
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Make read_espresso_ph database friendly 4 of 4 checklist items completed!3252updated
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Use relative paths as-needed in `BaseProfile` 3 of 4 checklist items completed!3251
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Fix trajectory MPI deadlock 2 of 4 checklist items completed!3250
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- 1
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Fix Poor2rich/rich2poor permutation 3 of 4 checklist items completed!3249
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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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