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Created date
Update QE calculator docs a bit
!2949
· created
Jul 15, 2023
by
Anubhab Haldar
Merged
6
Approved
updated
Oct 23, 2023
Remove `xdat2traj`
!2948
· created
Jul 13, 2023
by
Yuji Ikeda
3.23.0
Merged
8
2
Approved
updated
Jul 24, 2023
Fix `adjust_momenta` of `FixCom`
!2947
· created
Jul 13, 2023
by
Yuji Ikeda
Merged
5
1
updated
Sep 18, 2023
Update release notes (for MRs 2679-2856)
!2946
· created
Jul 13, 2023
by
Andrew Rosen
Merged
1
updated
Jul 13, 2023
Test that optimizers respect nsteps==0
!2945
· created
Jul 12, 2023
by
Ask Hjorth Larsen
Merged
updated
Jul 12, 2023
Update changelog (for MRs 2856-2943)
!2944
· created
Jul 11, 2023
by
Andrew Rosen
3.23.0
Merged
1
1
updated
Jul 11, 2023
Test that optimizer obeys 'nsteps'
!2943
· created
Jul 10, 2023
by
Ask Hjorth Larsen
Merged
3
updated
Jul 11, 2023
Remove stray "-" in docs
!2942
· created
Jul 09, 2023
by
Andrew Rosen
Merged
1
updated
Jul 09, 2023
Small fix to avoid error on lammps quaternions [re-opened]
!2941
· created
Jul 09, 2023
by
Andrew Rosen
Merged
1
updated
Jul 09, 2023
Fix some reproducible `ResourceWarning`s in CI
!2940
· created
Jul 09, 2023
by
Yuji Ikeda
Merged
5
updated
Jul 12, 2023
Fix ORCA calculator docs
!2939
· created
Jul 09, 2023
by
Andrew Rosen
Merged
1
updated
Jul 11, 2023
Disuse deprecated `importlib.find_loader`
!2938
· created
Jul 07, 2023
by
Yuji Ikeda
Merged
4
updated
Jul 11, 2023
DOC: Add custom roles "mr" and "issue"
!2937
· created
Jul 07, 2023
by
Yuji Ikeda
Merged
2
1
updated
Jul 11, 2023
Fix lint
!2936
· created
Jul 06, 2023
by
Ask Hjorth Larsen
Merged
updated
Jul 06, 2023
Increase the maximum allowed import statements in `test/cli/test_imports.py`
!2935
· created
Jul 06, 2023
by
Yuji Ikeda
Merged
1
updated
Jul 06, 2023
Minor phonon refcell patch
!2934
· created
Jul 04, 2023
by
Anubhab Haldar
response-needed
7
updated
Dec 31, 2023
Loosen `abs` for `approx` for comparison with 0.0
!2933
· created
Jul 02, 2023
by
Yuji Ikeda
Merged
2
updated
Jul 02, 2023
Fix deprecation errors of NumPy 1.25.0
!2932
· created
Jul 02, 2023
by
Yuji Ikeda
Merged
2
1
updated
Jul 06, 2023
DOC: Fix sphinx-doctests
!2931
· created
Jun 30, 2023
by
Ugo Nwosu
Merged
1
updated
Oct 27, 2023
Correct the stdout for SocketIOCalculators using GenericFileIOCalculator bases
!2930
· created
Jun 30, 2023
by
Thomas Purcell
Closed
5
updated
Aug 22, 2023
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