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Change charges to partial charges Lint #93: Commit 75e99fe pushed by juraskov
December 9, 2024 15:08 19s autode-update-latest
autode-update-latest
December 9, 2024 15:08 19s
Test system (#116) pytest #26: Commit b99faae pushed by juraskov
December 9, 2024 13:45 6m 24s main
main
December 9, 2024 13:45 6m 24s
Test system (#116) Lint #92: Commit b99faae pushed by juraskov
December 9, 2024 13:45 22s main
main
December 9, 2024 13:45 22s
Update autode to 1.4.4 Lint #91: Commit 4eb47ca pushed by juraskov
December 6, 2024 17:54 14s autode-update-latest
autode-update-latest
December 6, 2024 17:54 14s
Update autode to 1.4.4 Lint #90: Commit 35b3a1e pushed by juraskov
December 6, 2024 17:41 22s autode-update-1.4.4
autode-update-1.4.4
December 6, 2024 17:41 22s
Merge branch 'duartegroup:main' into autode-update Lint #89: Commit 44b9ea6 pushed by juraskov
December 6, 2024 16:04 17s autode-update
autode-update
December 6, 2024 16:04 17s
Merge branch 'main' into test_system Lint #88: Commit 7f0d9dd pushed by juraskov
December 6, 2024 11:01 15s test_system
test_system
December 6, 2024 11:01 15s
Merge branch 'main' into test_system Lint #87: Commit 04dfdeb pushed by juraskov
December 3, 2024 10:29 17s test_system
test_system
December 3, 2024 10:29 17s
Add Pd singlet multiplicity Lint #86: Commit b6a8ee6 pushed by juraskov
December 2, 2024 17:57 14s add_pd_correct
add_pd_correct
December 2, 2024 17:57 14s
Bump codecov/codecov-action from 4 to 5 in the gha-dependencies group… pytest #25: Commit 8e58b3c pushed by juraskov
December 2, 2024 17:53 6m 21s main
main
December 2, 2024 17:53 6m 21s
Bump codecov/codecov-action from 4 to 5 in the gha-dependencies group… Lint #85: Commit 8e58b3c pushed by juraskov
December 2, 2024 17:53 16s main
main
December 2, 2024 17:53 16s
Merge branch 'duartegroup:main' into add_pd Lint #84: Commit 7c3af3e pushed by juraskov
December 2, 2024 17:53 16s add_pd
add_pd
December 2, 2024 17:53 16s
Correct value Lint #83: Commit 180675d pushed by juraskov
December 2, 2024 17:51 21s add_pd
add_pd
December 2, 2024 17:51 21s
Add Pd multiplicity Lint #82: Commit 998d5f5 pushed by juraskov
December 2, 2024 17:43 17s add_pd
add_pd
December 2, 2024 17:43 17s
Plumed CNCV (#114) pytest #24: Commit 1f6dacf pushed by juraskov
November 29, 2024 17:02 6m 17s main
main
November 29, 2024 17:02 6m 17s
Plumed CNCV (#114) Lint #81: Commit 1f6dacf pushed by juraskov
November 29, 2024 17:02 23s main
main
November 29, 2024 17:02 23s
Merge branch 'main' into numpy-update Lint #80: Commit 65941ce pushed by juraskov
November 29, 2024 15:25 21s numpy-update
numpy-update
November 29, 2024 15:25 21s
Add test for charged and radical species Lint #79: Commit c970320 pushed by juraskov
November 29, 2024 15:23 22s test_system
test_system
November 29, 2024 15:23 22s
Modify tests Lint #78: Commit f9238e1 pushed by juraskov
November 29, 2024 13:11 24s test_system
test_system
November 29, 2024 13:11 24s
Add comments to failing calculate tests Lint #77: Commit 24c7d7b pushed by juraskov
November 25, 2024 22:46 21s test_system
test_system
November 25, 2024 22:46 21s
Correct typos Lint #76: Commit 85b5505 pushed by juraskov
November 25, 2024 22:38 18s test_system
test_system
November 25, 2024 22:38 18s
Remove skipping failing tests in calculate Lint #75: Commit 58aabd0 pushed by juraskov
November 25, 2024 22:35 17s test_system
test_system
November 25, 2024 22:35 17s
Update water fixture Lint #74: Commit d696b00 pushed by juraskov
November 25, 2024 22:33 21s test_system
test_system
November 25, 2024 22:33 21s
Merge branch 'test_system' of github.com:juraskov/mlp-train into test… Lint #73: Commit 6a232e6 pushed by juraskov
November 25, 2024 22:08 16s test_system
test_system
November 25, 2024 22:08 16s
Merge branch 'duartegroup:main' into test_system Lint #72: Commit 68ffe24 pushed by juraskov
November 25, 2024 22:03 21s test_system
test_system
November 25, 2024 22:03 21s