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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
tests written and passing locally Tests #473: Commit b8cf015 pushed by alexsquires
August 8, 2024 14:05 2h 11m 15s dopey_fermi
dopey_fermi
August 8, 2024 14:05 2h 11m 15s
fix bug where defect concentrations could not be found from min_max_X Tests #472: Commit f48b40b pushed by alexsquires
August 8, 2024 13:44 2h 9m 15s dopey_fermi
dopey_fermi
August 8, 2024 13:44 2h 9m 15s
Notes and minor cleanup Tests #471: Commit 1f6bc8c pushed by kavanase
August 7, 2024 16:14 1h 31m 8s develop
develop
August 7, 2024 16:14 1h 31m 8s
Add mp-api to requirements for tests Tests #470: Commit 1a1e2db pushed by kavanase
July 31, 2024 20:52 2h 6m 55s develop
develop
July 31, 2024 20:52 2h 6m 55s
Update tests (new, stable entry for Na2FePO4F on new MP API) Tests #469: Commit a39e292 pushed by kavanase
July 31, 2024 20:48 9m 45s develop
develop
July 31, 2024 20:48 9m 45s
update docstrings and example notebook Tests #468: Commit 9fab44b pushed by alexsquires
July 31, 2024 14:04 2h 9m 11s dopey_fermi
dopey_fermi
July 31, 2024 14:04 2h 9m 11s
Merge branch 'refs/heads/develop' into dopey_fermi Tests #467: Commit 17bfdf2 pushed by kavanase
July 30, 2024 17:28 2h 9m 12s dopey_fermi
dopey_fermi
July 30, 2024 17:28 2h 9m 12s
Add checks for chempot compatibility with defect calculations in `Def… Tests #466: Commit 773d1d6 pushed by kavanase
July 30, 2024 15:54 2h 12m 9s develop
develop
July 30, 2024 15:54 2h 12m 9s
merge Tests #465: Commit 761dab5 pushed by alexsquires
July 30, 2024 10:34 1h 47m 41s dopey_fermi
dopey_fermi
July 30, 2024 10:34 1h 47m 41s