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remove-tersoff-set-parameters
d3cbb2d2
·
Remove `set_parameters` in favor of direct access
·
Apr 27, 2025
!3659
enable-serial-ase
75bd512d
·
_get_comm tries again to initialize MPI
·
Apr 14, 2025
!3642
windows-tests
4432e787
·
reenable windows ci job
·
Apr 10, 2025
!3650
fix-neb-ends
039085db
·
Use `np.full` and `np.nan` for initialization
·
Apr 04, 2025
!3636
format-some-db-files
7e969aab
·
Format some db-files
·
Mar 31, 2025
!3637
my-db-stuff
24441839
·
Merge branch 'master' into ase-db-backends
·
Mar 31, 2025
read_output_ORCA
14a17454
·
ruff format
·
Mar 10, 2025
add-mattersim
1fe15718
·
Added MACE calculator
·
Mar 08, 2025
shake-fixinternals
b96c9700
·
Merge branch 'master' of gitlab.com:ase/ase into shake-fixinternals
·
Feb 27, 2025
1634-profiles-mangle-command-lines-on-windows
716db12c
·
Merge branch 'castep-xc' into 'master'
·
Feb 26, 2025
do-not-rotate-cell
aaec2d1a
·
Use polar decomposition to not rotate cell when applying a filter.
·
Feb 14, 2025
!3604
calculator-plugins
f2f690d2
·
Ruff format
·
Feb 14, 2025
!3087
bussi-parinello
dfb55f7f
·
safer test
·
Jan 23, 2025
!3590
espresso_io_refactor
bdc14b7a
·
backward compatibility with old numpys
·
Jan 22, 2025
!3589
plugin-experiment
85c51b12
·
Merge branch 'master' into plugin-experiment
·
Jan 18, 2025
new_logger
09b47074
·
fix failing tests
·
Jan 18, 2025
!3525
moderate-single-point-calculator
dc600f53
·
Accept properties in `all_outputs`
·
Jan 16, 2025
!3577
add-to-dict-to-calculators
959fa464
·
Treat `calcs` and `weights` as `parameters`
·
Jan 09, 2025
!3576
ase_db_row_atoms2dct
f63bed2d
·
typo
·
Jan 08, 2025
!3575
release-work
b5020de4
·
install setuptools
·
Dec 10, 2024
!3537
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