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fix_pw_makov_payne_parsing
12c35ec3
·
Merge branch ase:master into fix_pw_makov_payne_parsing
·
Oct 29, 2025
ase/ase!3863
master
default
protected
0436ebf7
·
Merge branch 'docsprint/nanoparticle' into 'master'
·
Oct 29, 2025
optimizable-any-ndof-part-ii
aa8f9305
·
bfgs: rename back to "gradient" since that name is used already in master
·
Oct 16, 2025
nugui_no_DISPLAY
42b9d922
·
Allow ase test --nogui to run when DISPLAY variable not set. Closes #1816.
·
Oct 15, 2025
fix_test_fd
8f01022b
·
Test test_fd() fails when numpy is compiled with Intel compilers.
·
Oct 15, 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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