-
Implement arbitrary k-points for espresso calculator 4 of 4 checklist items completed!3339
-
!3340
-
BUG: avoid parsing unsupported singlepoint properties 2 of 4 checklist items completed!3338
-
Add Vaspsol++ Inputs to vasp calculator 2 of 4 checklist items completed!3337
-
[Draft] ENH: Proper restarting during optimisations/MDs 4 of 9 checklist items completed!3310
-
Fix 3d-phasediagram code for decompose method 4 of 4 checklist items completed!3336
-
MAINT: Add `write_castep_geom` and `write_castep_md` etc. 3 of 3 checklist items completed!3229
-
Add `custom_per_atom_properties` and `custom_per_config_properties` options to `write_extxyz` 4 of 4 checklist items completed!3308
-
Add PWmat module (io, calculator) 2 of 4 checklist items completed!3312
-
Draft: Adding ruff support for ASE 2 of 4 checklist items completed!3103
-
!3280
-
Draft: Wannier bands 4 of 4 checklist items completed!3294
-
Update npt.py 0 of 3 checklist items completed!3293
-
BUG: fix DFTB+ 24.1 compatibility #1438 1 of 4 checklist items completed!3282
-
Draft: defect and supercell setup utilities 4 of 13 checklist items completed!2532
-
Draft: Calculator plugins 0 of 4 checklist items completed!3087