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58ff401a
·
Merge branch 'LangevinBAOAB' into 'master'
·
Oct 24, 2025
v4/emt_v3v4_wrapper
6d0f6d90
·
fix BaseCalculator type hint
·
Oct 14, 2025
ase/ase!3856
v4/unit_tests
4a8364e8
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changed mark label
·
Oct 10, 2025
ase/ase!3855
v4/CalculationResults
313003c6
·
remove stray print
·
Oct 10, 2025
ase/ase!3854
v4/develop
5ef79f6e
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Merge branch 'docstring-fixes' into 'master'
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Oct 07, 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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