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patch-1
1e96c76d
·
Edit run function in basin.py. if accepted it uses randomly displaced...
·
Nov 23, 2025
ase/ase!3865
baoab-cherrypick
ba4be7d2
·
Try to fix docstring ReST formatting
·
Oct 21, 2025
LangevinBAOAB
2e687863
·
manuallly synchronize with master branch
·
Oct 21, 2025
master
default
protected
c83dd1c6
·
Merge branch 'documentation-manipulating-atoms' into 'master'
·
Oct 21, 2025
documentation-add-installs-to-example-adding
00e48373
·
added sphinx-gallery install pip command
·
Oct 21, 2025
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cp2k_bandstructure
7277cbce
·
Implement bare minimum for band structure calculation
·
Nov 01, 2016
hide-search
31540d40
·
first commit
·
Dec 07, 2016
fix_wannier
68e1d24b
·
Fix writing Wannier functions to file
·
Dec 15, 2016
more_robust_spacegroup
cae9b891
·
Removed unnessesary float convertions
·
Jan 12, 2017
phonon_write
ec9185dc
·
Filename should be first argument
·
Feb 22, 2017
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