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Created date
Revert run_command to aims_command
!2977
· created
Jul 31, 2023
by
Thomas Purcell
Merged
4
updated
Aug 22, 2023
DOC: Change from bytes to string.
!2976
· created
Jul 28, 2023
by
Andrew Peterson
Merged
1
updated
Sep 21, 2023
New interface for the ONETEP code
!2975
· created
Jul 28, 2023
by
TomD
Merged
63
2
Approved
updated
Nov 13, 2023
MAINT: Consolidate MEP modules
!2974
· created
Jul 26, 2023
by
Andrew Peterson
Merged
16
2
Approved
updated
Nov 05, 2023
BUG: Update file dftb.py to fix DFTB+ calculator error in dipole moment output reader
!2973
· created
Jul 26, 2023
by
Louie Slocombe
Easy
tests-needed
Closed
3
1
updated
Nov 17, 2023
DOC/BUG: Fix cleanup in thermochemistry.
!2972
· created
Jul 25, 2023
by
Andrew Peterson
Merged
4
updated
Jul 28, 2023
ENH: Add functionality to guess "atom_style" in `read_lammps_data`
!2971
· created
Jul 25, 2023
by
Yuji Ikeda
Merged
2
updated
Sep 26, 2023
Fix flake8 ignore paths
!2970
· created
Jul 25, 2023
by
Ask Hjorth Larsen
Merged
updated
Jul 25, 2023
Strip all trailing whitespace
!2969
· created
Jul 24, 2023
by
Richard Barnes
Closed
11
updated
Oct 22, 2023
Type fixes
!2968
· created
Jul 24, 2023
by
Ask Hjorth Larsen
Merged
1
updated
Jul 24, 2023
Fixes for abinit/exciting
!2967
· created
Jul 24, 2023
by
Ask Hjorth Larsen
Merged
updated
Jul 24, 2023
ENH: Fix all return nones
!2966
· created
Jul 24, 2023
by
Richard Barnes
Closed
updated
Jul 24, 2023
Use `monkeypatch` in place of `mocker` in VASP calculator test
!2965
· created
Jul 23, 2023
by
Andrew Rosen
Merged
1
updated
Jul 24, 2023
Add and apply isort to pre-commit and CI
!2964
· created
Jul 23, 2023
by
Richard Barnes
Closed
21
1
updated
Oct 22, 2023
Add `thickness` to `graphene`
!2963
· created
Jul 21, 2023
by
Yuji Ikeda
Merged
1
updated
Jul 22, 2023
Fix `bulk` for Mn and P
!2962
· created
Jul 20, 2023
by
Yuji Ikeda
Merged
3
updated
Jul 24, 2023
ENH: Add more type annotations
!2961
· created
Jul 20, 2023
by
Richard Barnes
Closed
40
updated
Oct 23, 2023
ENH: Tests return None
!2960
· created
Jul 20, 2023
by
Richard Barnes
Closed
12
updated
Oct 24, 2023
BUG: add KP_Enter bindings along with Return ones (GUI)
!2959
· created
Jul 20, 2023
by
Théo Cavignac
response-needed
3
updated
Apr 19, 2024
Raise a `NotImplementedError` when trying to use `set` of `GenericFileIOCalculator`
!2958
· created
Jul 18, 2023
by
Andrew Rosen
Closed
2
updated
Jul 18, 2023
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