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tests
Tests #512: Commit 3825f20 pushed by alexsquires
October 17, 2024 16:08 1h 53m 28s dopey_fermi
October 17, 2024 16:08 1h 53m 28s
Dynamically adjust edge_tol as needed for defect stenciling
Tests #511: Commit 014d64e pushed by kavanase
October 15, 2024 17:45 1h 16m 41s develop
October 15, 2024 17:45 1h 16m 41s
Add tests for output structure rattling
Tests #510: Commit 4336320 pushed by kavanase
October 9, 2024 21:31 1h 23m 40s develop
October 9, 2024 21:31 1h 23m 40s
Minor tests updates
Tests #509: Commit b303e97 pushed by kavanase
October 9, 2024 00:31 1h 31m 58s develop
October 9, 2024 00:31 1h 31m 58s
Tests updates
Tests #508: Commit ea10d33 pushed by kavanase
October 8, 2024 22:20 1h 29m 43s develop
October 8, 2024 22:20 1h 29m 43s
Overhaul interstitial generation to avoid slow pymatgen functions, …
Tests #507: Commit 8b4ed69 pushed by kavanase
October 8, 2024 17:55 1h 36m 6s develop
October 8, 2024 17:55 1h 36m 6s
update tutorial
Tests #506: Commit 976a16f pushed by alexsquires
October 2, 2024 11:46 1h 54m 26s dopey_fermi
October 2, 2024 11:46 1h 54m 26s
add fixed_defects to tutorial notebook
Tests #505: Commit cab409a pushed by alexsquires
September 20, 2024 16:12 2h 43m 56s dopey_fermi
September 20, 2024 16:12 2h 43m 56s
fix optional args in min_max_X
Tests #504: Commit e65a3b3 pushed by alexsquires
September 20, 2024 16:11 1h 54m 2s dopey_fermi
September 20, 2024 16:11 1h 54m 2s
add line scan for min_max_X in binaries
Tests #503: Commit 1e0f503 pushed by alexsquires
September 20, 2024 14:29 1h 53m 18s dopey_fermi
September 20, 2024 14:29 1h 53m 18s
Merge remote-tracking branch 'origin/develop' into develop
Tests #502: Commit 38b8ab9 pushed by kavanase
September 19, 2024 21:28 5h 1m 39s develop
September 19, 2024 21:28 5h 1m 39s
Merge pull request #87 from SMTG-Bham/displacements2
Tests #501: Commit cb7df36 pushed by kavanase
September 19, 2024 21:27 3h 35m 18s develop
September 19, 2024 21:27 3h 35m 18s
Update advanced analysis notebook
Tests #500: Commit d53b0e4 pushed by kavanase
September 19, 2024 21:22 3h 19m 31s displacements2
September 19, 2024 21:22 3h 19m 31s
Add ellipsoid plotting tests for interstitials and substitutions
Tests #499: Commit 88fda80 pushed by kavanase
September 19, 2024 21:10 1h 58m 0s displacements2
September 19, 2024 21:10 1h 58m 0s
modify test_displacement
Tests #498: Commit 86bbf54 pushed by teruya7
September 19, 2024 13:36 2h 29m 51s displacements2
September 19, 2024 13:36 2h 29m 51s
add custom fixed_defects to tutorial
Tests #497: Commit d0cb875 pushed by alexsquires
September 19, 2024 11:00 2h 9m 7s dopey_fermi
September 19, 2024 11:00 2h 9m 7s
fix grid generator, add fixed defects kwarg for py-sc-fermi usage
Tests #496: Commit bcdf31a pushed by alexsquires
September 18, 2024 10:57 1h 54m 3s dopey_fermi
September 18, 2024 10:57 1h 54m 3s
Merge develop, and update tests
Tests #495: Commit 6adf382 pushed by kavanase
September 17, 2024 15:03 3h 28m 41s displacements2
September 17, 2024 15:03 3h 28m 41s
Add cmcrameri citation suggestions to docstrings
Tests #494: Commit 5897412 pushed by kavanase
September 17, 2024 14:51 1h 57m 48s develop
September 17, 2024 14:51 1h 57m 48s
Merge develop
Tests #493: Commit 3935e4f pushed by kavanase
September 12, 2024 17:28 2h 30m 12s dopey_fermi
September 12, 2024 17:28 2h 30m 12s
Redefine element_changes for Defect for fast formation energy / c…
Tests #492: Commit eaf96ce pushed by kavanase
September 12, 2024 17:20 1h 52m 55s develop
September 12, 2024 17:20 1h 52m 55s
Update teardown methods
Tests #491: Commit 2ef5ee1 pushed by kavanase
September 9, 2024 23:45 1h 55m 11s develop
September 9, 2024 23:45 1h 55m 11s
Update SymmOp handling (pymatgen PR submitted; https://github.c…
Tests #490: Commit 5d16471 pushed by kavanase
September 9, 2024 17:44 1h 53m 43s develop
September 9, 2024 17:44 1h 53m 43s
Add _smart_round function and some docstrings updates
Tests #489: Commit 0292e34 pushed by kavanase
September 6, 2024 22:23 1h 22m 34s develop
September 6, 2024 22:23 1h 22m 34s
Update test data
Tests #488: Commit 89a9ef5 pushed by kavanase
September 3, 2024 17:34 1h 23m 33s develop
September 3, 2024 17:34 1h 23m 33s