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Updated date
Phonons parallelization fix
!2903
· created
May 30, 2023
by
Ask Hjorth Larsen
Merged
1
updated
May 31, 2023
Add numerical stress skips for SCF re-initialization lines
!2879
· created
Apr 24, 2023
by
Thomas Purcell
Merged
9
1
updated
May 31, 2023
Exciting Calculator Refactor - ASE and Fireworks Workshop
!2566
· created
Nov 17, 2021
by
Alex Buccheri
exciting
Merged
128
updated
May 31, 2023
Ignore rsyncdir deprecation warning for full calculator tests
!2900
· created
May 23, 2023
by
Adam Jackson
Merged
2
updated
May 23, 2023
BUG/ENH: Correct file ending for "Chemical json" input files
!2894
· created
May 11, 2023
by
Michael Walter
Merged
1
updated
May 22, 2023
DOC: Modify to show document also for members of `Symbols`
!2896
· created
May 17, 2023
by
Yuji Ikeda
Merged
1
updated
May 21, 2023
BUGfix: moved initialisation of self._spline for PreconImages
!2875
· created
Apr 15, 2023
by
Petr Grigorev
Merged
5
updated
May 03, 2023
DOC: Correct comment in DOS grid data
!2887
· created
Apr 28, 2023
by
Adam Jackson
Documentation
Merged
1
updated
May 03, 2023
Ams available calculators
!2877
· created
Apr 17, 2023
by
Paul Spiering
Merged
2
Approved
updated
May 03, 2023
Fix reader of the cube files with negative number of atoms
!2890
· created
Apr 30, 2023
by
Peter KOVAL
Merged
3
updated
May 03, 2023
BUG: DB charges field
!2888
· created
Apr 28, 2023
by
Adam Jackson
Merged
updated
Apr 28, 2023
Added a window-test job to .gitlab-ci to replace what appveyor did previously.
!2884
· created
Apr 26, 2023
by
Mads-Peter Verner Christiansen
Merged
updated
Apr 27, 2023
clean up socketio test
!2881
· created
Apr 25, 2023
by
Ask Hjorth Larsen
Merged
updated
Apr 25, 2023
Fix espresso/abinit socketio test
!2880
· created
Apr 25, 2023
by
Ask Hjorth Larsen
Merged
updated
Apr 25, 2023
Recognise .castep files from Materials Studio
!2822
· created
Jan 05, 2023
by
Adam Jackson
CASTEP
Easy
Merged
2
updated
Apr 22, 2023
ENH: make `fluorite` work with `cubic`
!2834
· created
Feb 04, 2023
by
Yuji Ikeda
Merged
3
updated
Apr 21, 2023
CIF fixes
!2872
· created
Apr 07, 2023
by
Ask Hjorth Larsen
Merged
updated
Apr 07, 2023
Update README.rst contact section to match main docs
!2871
· created
Apr 06, 2023
by
Adam Jackson
Documentation
Merged
1
updated
Apr 07, 2023
Fix DFTB+ calculator when xTB is used as the Hamiltonian
!2682
· created
Apr 15, 2022
by
Andrew Rosen
Merged
36
updated
Apr 07, 2023
Fix various version-related warnings and errors
!2870
· created
Apr 05, 2023
by
Ask Hjorth Larsen
Merged
updated
Apr 05, 2023
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