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fix ZeroDivisionError in fermisolver test
Tests #544: Commit 6454aca pushed by alexsquires
January 8, 2025 09:51 1h 13m 55s dopey_fermi
January 8, 2025 09:51 1h 13m 55s
January 6, 2025 22:25 1h 47m 53s
January 6, 2025 18:04 1h 15m 47s
Test actual values in FermiSolver tests, to ensure working correctly
Tests #541: Commit 179eed2 pushed by kavanase
January 6, 2025 17:11 1h 34m 2s dopey_fermi
January 6, 2025 17:11 1h 34m 2s
General FermiSolver tests updates
Tests #540: Commit bd19bfc pushed by kavanase
January 6, 2025 16:46 1h 13m 56s dopey_fermi
January 6, 2025 16:46 1h 13m 56s
Add general question template
Tests #539: Commit 929b80f pushed by kavanase
January 4, 2025 11:01 2h 56m 33s main
January 4, 2025 11:01 2h 56m 33s
Add bug report template
Tests #538: Commit 608e626 pushed by kavanase
January 4, 2025 10:45 2h 59m 57s main
January 4, 2025 10:45 2h 59m 57s
Add is_shallow convenience function and test
Tests #537: Commit c195202 pushed by kavanase
January 3, 2025 10:48 2m 52s dopey_fermi
January 3, 2025 10:48 2m 52s
Simplify some FermiSolver tests
Tests #536: Commit ea57a44 pushed by kavanase
January 2, 2025 00:11 2m 51s dopey_fermi
January 2, 2025 00:11 2m 51s
Use _solve and scan_chempots functions to reduce code redundancy …
Tests #535: Commit 2e52e3d pushed by kavanase
December 30, 2024 18:57 1h 48m 3s dopey_fermi
December 30, 2024 18:57 1h 48m 3s
Fix _min_max_X_line (zoomed chempots used arbitrary and potentially…
Tests #534: Commit 8c58508 pushed by kavanase
December 29, 2024 11:12 1h 43m 25s dopey_fermi
December 29, 2024 11:12 1h 43m 25s
Ensure sorting in output dataframes is consistent
Tests #533: Commit fa317e8 pushed by kavanase
December 19, 2024 18:32 4m 24s dopey_fermi
December 19, 2024 18:32 4m 24s
Allow structure files or ASE atoms as input to DefectsGenerator for…
Tests #532: Commit 94c3969 pushed by kavanase
December 16, 2024 18:25 1h 45m 51s develop
December 16, 2024 18:25 1h 45m 51s
Update displacements tests plots
Tests #531: Commit f5a32a2 pushed by kavanase
December 7, 2024 05:09 1h 50m 45s develop
December 7, 2024 05:09 1h 50m 45s
Minor tests updates
Tests #530: Commit 1f7f6e6 pushed by kavanase
November 30, 2024 19:44 1h 33m 13s develop
November 30, 2024 19:44 1h 33m 13s
Minor update to ensure defect supercell site coords exactly match the…
Tests #529: Commit 035ea62 pushed by kavanase
November 28, 2024 15:26 1h 38m 25s develop
November 28, 2024 15:26 1h 38m 25s
Update closest_site_info to be robust for very very weird structure…
Tests #528: Commit 6041506 pushed by kavanase
November 21, 2024 04:02 3m 43s develop
November 21, 2024 04:02 3m 43s
November 20, 2024 18:45 3m 13s
Minor oxi state fix
Tests #526: Commit 79846ea pushed by kavanase
November 19, 2024 16:54 3m 7s develop
November 19, 2024 16:54 3m 7s
Ensure supercell matrix is integer to avoid pymatgen expansion issues
Tests #525: Commit 3819efc pushed by kavanase
November 18, 2024 01:59 3m 10s develop
November 18, 2024 01:59 3m 10s
Make get_site_mapping_indices more flexible
Tests #524: Commit a8017d0 pushed by kavanase
November 17, 2024 01:54 2m 48s develop
November 17, 2024 01:54 2m 48s
Add mixed-valence structure test
Tests #523: Commit b19be6b pushed by kavanase
November 5, 2024 15:42 2m 55s develop
November 5, 2024 15:42 2m 55s
Format mis-matching INCAR tags warning for many defects
Tests #522: Commit 5f6e0e0 pushed by kavanase
November 1, 2024 23:01 2m 51s develop
November 1, 2024 23:01 2m 51s
November 1, 2024 04:46 3m 29s
Flesh out docstrings, use more informative naming and lean out site-m…
Tests #520: Commit f8f226c pushed by kavanase
October 31, 2024 21:03 1h 38m 47s develop
October 31, 2024 21:03 1h 38m 47s