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publish docs on tag
publish to pypi #119: Commit ade7234 pushed by gelzinyte
September 2, 2024 16:40 24s tidy-and-bump-version
September 2, 2024 16:40 24s
Merge branch 'main' into tidy-and-bump-version
publish to pypi #118: Commit f11dd70 pushed by bernstei
August 29, 2024 19:27 19s tidy-and-bump-version
August 29, 2024 19:27 19s
Merge pull request #336 from libAtoms/fit_error_parity_sign
publish to pypi #117: Commit 113f8f7 pushed by bernstei
August 29, 2024 18:33 20s main
August 29, 2024 18:33 20s
Merge pull request #333 from libAtoms/orca-update
publish to pypi #116: Commit c59c86d pushed by bernstei
August 29, 2024 18:33 20s main
August 29, 2024 18:33 20s
Merge branch 'main' into fit_error_parity_sign
publish to pypi #115: Commit 71424a4 pushed by bernstei
August 29, 2024 17:18 23s fit_error_parity_sign
August 29, 2024 17:18 23s
Merge branch 'main' into orca-update
publish to pypi #114: Commit f34f0d6 pushed by bernstei
August 29, 2024 17:18 19s orca-update
August 29, 2024 17:18 19s
Merge pull request #332 from JPDarby/ase_cache
publish to pypi #113: Commit 3705632 pushed by bernstei
August 29, 2024 17:14 22s main
August 29, 2024 17:14 22s
Add support for stress in wfl.fit.error
publish to pypi #112: Commit 26508fc pushed by bernstei
August 22, 2024 16:46 1m 4s fit_error_parity_sign
August 22, 2024 16:46 1m 4s
make docs be version-specific
publish to pypi #110: Commit 0686077 pushed by gelzinyte
August 16, 2024 13:18 19s tidy-and-bump-version
August 16, 2024 13:18 19s
Merge branch 'main' into orca-update
publish to pypi #109: Commit b456cd9 pushed by gelzinyte
August 16, 2024 12:26 22s orca-update
August 16, 2024 12:26 22s
Merge pull request #330 from libAtoms/castep-ase323-update
publish to pypi #108: Commit 4db7936 pushed by bernstei
August 16, 2024 12:23 28s main
August 16, 2024 12:23 28s
update readme. Remove unused calculator utils funciton
publish to pypi #107: Commit c163530 pushed by gelzinyte
August 16, 2024 10:58 24s tidy-and-bump-version
August 16, 2024 10:58 24s
remove ase 3.22 dependencies
publish to pypi #106: Commit 522b416 pushed by gelzinyte
August 16, 2024 10:46 20s castep-ase323-update
August 16, 2024 10:46 20s
minor fixes
publish to pypi #105: Commit 25c215b pushed by gelzinyte
August 15, 2024 21:59 20s orca-update
August 15, 2024 21:59 20s
more clean up
publish to pypi #104: Commit d360c85 pushed by gelzinyte
August 15, 2024 21:24 24s orca-update
August 15, 2024 21:24 24s
Tweak to complete_pytest.tin parsing of results line
publish to pypi #103: Commit 403bd0d pushed by bernstei
August 8, 2024 22:10 21s main
August 8, 2024 22:10 21s
enforce ase v3.23 with castep calculator
publish to pypi #102: Commit e9086df pushed by gelzinyte
August 5, 2024 08:59 21s castep-ase323-update
August 5, 2024 08:59 21s
remove extra empty lines
publish to pypi #101: Commit 7c910d7 pushed by gelzinyte
August 5, 2024 08:47 24s castep-ase323-update
August 5, 2024 08:47 24s
Merge pull request #328 from jungsdao/main
publish to pypi #99: Commit 60ea94d pushed by bernstei
July 30, 2024 17:52 23s main
July 30, 2024 17:52 23s
recursion fix for ase 3.23
publish to pypi #98: Commit a625f46 pushed by gelzinyte
July 30, 2024 15:05 20s castep-ase323-update
July 30, 2024 15:05 20s
Merge pull request #325 from libAtoms/ase_version_qe
publish to pypi #97: Commit 5758f8c pushed by gelzinyte
July 30, 2024 13:25 27s main
July 30, 2024 13:25 27s
Merge branch 'main' into castep-bug
publish to pypi #96: Commit 2367ddf pushed by gelzinyte
July 30, 2024 11:39 21s castep-ase323-update
July 30, 2024 11:39 21s
Merge pull request #323 from libAtoms/mopac-ase323-update
publish to pypi #95: Commit aa1411e pushed by gelzinyte
July 30, 2024 11:35 23s main
July 30, 2024 11:35 23s