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5a76e85f
·
remove hardcode numbers, improve variable naming
·
Oct 24, 2025
ase/ase!3869
documentation-addingexamples_db
c67d8bb2
·
Move db tutorial from tutorials to examples, transfer to sphinx gallery
·
Oct 24, 2025
optimizable-any-ndof-part-ii
50626d5c
·
Apply 1 suggestion(s) to 1 file(s)
·
Oct 23, 2025
LangevinBAOAB
8957c12f
·
tweak descriptions of LangevinBAOAB for const energy and/or cell
·
Oct 22, 2025
baoab-cherrypick
ba4be7d2
·
Try to fix docstring ReST formatting
·
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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