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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
add test_calc_site_displacements for substitution and interstitial
Tests #487: Commit 6d60c3c pushed by teruya7
September 2, 2024 00:27 1h 38m 33s displacements2
September 2, 2024 00:27 1h 38m 33s
Refactor _plot_lattice function
Tests #486: Commit 690ff4f pushed by teruya7
September 1, 2024 23:53 1h 36m 7s displacements2
September 1, 2024 23:53 1h 36m 7s
Add style_file option, return figures, cleanup etc
Tests #485: Commit 534d738 pushed by kavanase
August 23, 2024 16:48 1h 39m 53s displacements2
August 23, 2024 16:48 1h 39m 53s
Update tutorial examples
Tests #484: Commit f8296d8 pushed by kavanase
August 23, 2024 16:06 1h 36m 51s displacements2
August 23, 2024 16:06 1h 36m 51s
Merge branch 'develop' into displacements2
Tests #483: Commit 3e1f8e3 pushed by kavanase
August 20, 2024 18:05 2h 11m 20s displacements2
August 20, 2024 18:05 2h 11m 20s
Merge branch 'develop' into dopey_fermi
Tests #482: Commit e5128ec pushed by kavanase
August 20, 2024 18:04 1h 44m 24s dopey_fermi
August 20, 2024 18:04 1h 44m 24s
Auto adjust label positions if clipped by plot limits
Tests #481: Commit 5cd9958 pushed by kavanase
August 20, 2024 18:04 1h 39m 1s develop
August 20, 2024 18:04 1h 39m 1s