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modify test_displacement Tests #498: Commit 86bbf54 pushed by teruya7
September 19, 2024 13:36 2h 29m 51s displacements2
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
develop
August 20, 2024 18:04 1h 39m 1s
Formatting and cleanup Tests #480: Commit ca0d8c1 pushed by kavanase
August 20, 2024 16:24 1h 31m 35s displacements2
displacements2
August 20, 2024 16:24 1h 31m 35s
Merge branch 'refs/heads/develop' into dopey_fermi Tests #479: Commit da06266 pushed by kavanase
August 16, 2024 05:04 1h 28m 59s dopey_fermi
dopey_fermi
August 16, 2024 05:04 1h 28m 59s
Add get_doped_chempots_from_entries convenience function to `doped.… Tests #478: Commit b3c674d pushed by kavanase
August 15, 2024 23:21 1h 31m 23s develop
develop
August 15, 2024 23:21 1h 31m 23s
Update to use flexible chempot/el_refs input and handling as in `… Tests #477: Commit 42e5af5 pushed by kavanase
August 15, 2024 23:19 2m 45s dopey_fermi
dopey_fermi
August 15, 2024 23:19 2m 45s
Allow bulk_dos to be set in DefectThermodynamics init, or as prop… Tests #476: Commit ddea60f pushed by kavanase
August 15, 2024 03:28 2m 57s dopey_fermi
dopey_fermi
August 15, 2024 03:28 2m 57s
Cleanup and formatting Tests #475: Commit bdbdebb pushed by kavanase
August 13, 2024 02:36 2m 57s dopey_fermi
dopey_fermi
August 13, 2024 02:36 2m 57s
Merge Doped/PyScFermi backends to FermiSolver, docstring fleshing… Tests #474: Commit 62f65e5 pushed by kavanase
August 12, 2024 18:25 3m 35s dopey_fermi
dopey_fermi
August 12, 2024 18:25 3m 35s