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gui_defaults
f6eb2a35
·
Add changelog.
·
Nov 07, 2025
ase/ase!3883
master
default
a7d7cde9
·
Merge branch 'tutorials-lint' into 'master'
·
Nov 06, 2025
rattle-docs
27ac0962
·
Expand docs for atoms.ratttle to explain seed.
·
Apr 18, 2024
ase/ase!3334
MD_docs
a4a4f0cc
·
Velocity distributions doc strings.
·
Apr 17, 2024
ase/ase!3333
hookean-shuffle
33609704
·
Nothing.
·
Sep 06, 2023
ase/ase!405
thermochemistry-cleanup
83bbfb31
·
Change from bytes to string.
·
Jul 28, 2023
ase/ase!2976
calc_results
7a6a36ee
·
Merge branch 'master' of gitlab.com:ase/ase into calc_results
·
May 17, 2023
ase/ase!2395
minhop_kwargs
8b839201
·
Minima hopping keywords to local optimizer.
·
Jan 23, 2023
ase/ase!2827
fixedmode-dict2constraint
bb51e01c
·
Slight change to test.
·
Nov 23, 2022
ase/ase!2801
optimize-steps
154e65e5
·
Merge branch 'master' of gitlab.com:ase/ase into optimize-steps
·
May 27, 2022
ase/ase!2688
nwchem-doc
595ab8ee
·
Add missing space to NWChem docs.
·
Feb 17, 2022
ase/ase!2647
cluster-docstrings
0890f4ff
·
Typo: sphere -> shape.
·
Feb 15, 2022
ase/ase!2644
flake8_atoms_py
4c217882
·
More flake8 fixes for atoms out.
·
May 25, 2021
ase/ase!2424
label_directory
fe3b4232
·
Create directories in Calculator.calculate.
·
Apr 15, 2020
ase/ase!1834
thermochemistry-tests
e52c10ce
·
Added HinderedThermo test, cleaned docs.
·
Feb 25, 2020
ase/ase!1740
multiprocessNEB
730473cc
·
Fix docstring.
·
Jun 09, 2016
castep
1f5e1044
·
Merge from trunk
·
Sep 04, 2015
embedding
d1c3676b
·
changed readme to include location of associated gpaw branch
·
Jun 12, 2015
idpp
565cc933
·
Version 0.1 ...
·
Feb 05, 2015
trajectory
9af85cd9
·
First rough sketch
·
Feb 03, 2015
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