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mace_desc.py deleted
publish to pypi #22: Commit 2b32fc5 pushed by jungsdao
October 8, 2024 13:22 25s attach_neb
October 8, 2024 13:22 25s
add attach function and abort for neb.py
publish to pypi #21: Commit 5425862 pushed by jungsdao
October 8, 2024 13:17 21s attach_neb
October 8, 2024 13:17 21s
Merge pull request #338 from libAtoms/configset_add_op
Build docs #9: Commit 2d600ae pushed by jungsdao
October 8, 2024 13:00 2s main
October 8, 2024 13:00 2s
Merge pull request #338 from libAtoms/configset_add_op
publish to pypi #20: Commit 2d600ae pushed by jungsdao
October 8, 2024 13:00 23s main
October 8, 2024 13:00 23s
Merge branch 'libAtoms:main' into neb_attach
publish to pypi #19: Commit 8c2c523 pushed by jungsdao
October 8, 2024 12:39 20s neb_attach
October 8, 2024 12:39 20s
minima hopping maxtemp minima traj
publish to pypi #18: Commit d5598cf pushed by jungsdao
August 16, 2024 19:04 24s neb_attach
August 16, 2024 19:04 24s
Merge branch 'libAtoms:main' into neb_attach
publish to pypi #17: Commit faf0b8c pushed by jungsdao
August 14, 2024 15:30 19s neb_attach
August 14, 2024 15:30 19s
neb.py takes abort_check class argument
publish to pypi #16: Commit ab68e7a pushed by jungsdao
August 14, 2024 15:29 24s neb_attach
August 14, 2024 15:29 24s
small change
Build docs #8: Commit a2a158f pushed by jungsdao
July 30, 2024 18:59 3m 16s main
July 30, 2024 18:59 3m 16s
small change
publish to pypi #15: Commit a2a158f pushed by jungsdao
July 30, 2024 18:59 23s main
July 30, 2024 18:59 23s
MACE descriptor added
publish to pypi #14: Commit 06d6b0b pushed by jungsdao
July 30, 2024 18:57 23s main
July 30, 2024 18:57 23s
MACE descriptor added
Build docs #7: Commit 06d6b0b pushed by jungsdao
July 30, 2024 18:57 3m 18s main
July 30, 2024 18:57 3m 18s
pytest for MD logger added
Build docs #6: Commit 5bc586c pushed by jungsdao
July 30, 2024 15:57 3m 19s main
July 30, 2024 15:57 3m 19s
pytest for MD logger added
publish to pypi #13: Commit 5bc586c pushed by jungsdao
July 30, 2024 15:57 20s main
July 30, 2024 15:57 20s
documentation modified
publish to pypi #12: Commit 707072a pushed by jungsdao
July 30, 2024 14:56 23s main
July 30, 2024 14:56 23s
documentation modified
Build docs #5: Commit 707072a pushed by jungsdao
July 30, 2024 14:56 3m 5s main
July 30, 2024 14:56 3m 5s
MD logger patch
Build docs #4: Commit 7687435 pushed by jungsdao
July 30, 2024 14:49 3m 11s main
July 30, 2024 14:49 3m 11s
MD logger patch
publish to pypi #11: Commit 7687435 pushed by jungsdao
July 30, 2024 14:49 21s main
July 30, 2024 14:49 21s
Merge pull request #325 from libAtoms/ase_version_qe
Build docs #3: Commit 5758f8c pushed by jungsdao
July 30, 2024 14:34 3m 14s main
July 30, 2024 14:34 3m 14s
Merge pull request #325 from libAtoms/ase_version_qe
publish to pypi #10: Commit 5758f8c pushed by jungsdao
July 30, 2024 14:34 21s main
July 30, 2024 14:34 21s
md modified
Build docs #2: Commit 60e2cc1 pushed by jungsdao
July 26, 2024 15:11 2m 21s main
July 26, 2024 15:11 2m 21s
md modified
publish to pypi #9: Commit 60e2cc1 pushed by jungsdao
July 26, 2024 15:11 23s main
July 26, 2024 15:11 23s
Merge branch 'main' into md_modification
publish to pypi #8: Commit c7b9db7 pushed by jungsdao
July 26, 2024 14:59 22s md_modification
July 26, 2024 14:59 22s
MD logger attach enabled, current temperature is logged
publish to pypi #7: Commit e93b1cf pushed by jungsdao
July 26, 2024 14:55 29s md_modification
July 26, 2024 14:55 29s
patch applied
publish to pypi #6: Commit 751ae67 pushed by jungsdao
July 15, 2024 09:57 19s ase_version_qe
July 15, 2024 09:57 19s