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bc8c22ff
·
Simplified todict()
·
Feb 22, 2025
ase/ase!3606
proper-rng-seeding
e03f655f
·
final set of rng fixes
·
Feb 16, 2025
do-not-rotate-cell
aaec2d1a
·
Use polar decomposition to not rotate cell when applying a filter.
·
Feb 14, 2025
calculator-plugins
f2f690d2
·
Ruff format
·
Feb 14, 2025
respect-the-mask
aa91b7b9
·
Fixed a significant bug.
·
Feb 14, 2025
iocontext-del
09ee8fdb
·
avoid leak in test. Not sure how well the GUI itself guards against leaks
·
Feb 14, 2025
add_vasp_velocity
790df7be
·
flake8 vasp_auxiliary
·
Feb 13, 2025
pyfhiaims-io-processing
8bf6880c
·
Final changes before beta release of pyfhiaims
·
Jan 23, 2025
bussi-parinello
dfb55f7f
·
safer test
·
Jan 23, 2025
espresso_io_refactor
bdc14b7a
·
backward compatibility with old numpys
·
Jan 22, 2025
plugin-experiment
85c51b12
·
Merge branch 'master' into plugin-experiment
·
Jan 18, 2025
new_logger
09b47074
·
fix failing tests
·
Jan 18, 2025
no-more-is_neb
e23e07b2
·
refrain from being overly friendly for people calling neb in ways that we do...
·
Jan 16, 2025
moderate-single-point-calculator
dc600f53
·
Accept properties in `all_outputs`
·
Jan 16, 2025
add-to-dict-to-calculators
959fa464
·
Treat `calcs` and `weights` as `parameters`
·
Jan 09, 2025
ase_db_row_atoms2dct
f63bed2d
·
typo
·
Jan 08, 2025
release-work
b5020de4
·
install setuptools
·
Dec 10, 2024
wannier_bands
910fe898
·
WIP
·
Nov 12, 2024
new_md_logger_exp
3416746d
·
experimental
·
Nov 06, 2024
new_md_logger
d07f2121
·
suggestions
·
Oct 31, 2024
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