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Remove test that breaks on windows.
Deploy Jekyll with GitHub Pages dependencies preinstalled #676: Commit 2541b9f pushed by shyuep
October 24, 2024 20:45 1m 7s master
October 24, 2024 20:45 1m 7s
Enable selection of VaspDir files by name. Useful for quickly looking at
Deploy Jekyll with GitHub Pages dependencies preinstalled #675: Commit 97327e0 pushed by shyuep
October 24, 2024 20:20 1m 9s master
October 24, 2024 20:20 1m 9s
Simplify file mapping definitions.
Deploy Jekyll with GitHub Pages dependencies preinstalled #674: Commit 2ffdf78 pushed by shyuep
October 23, 2024 16:00 4m 27s master
October 23, 2024 16:00 4m 27s
Minor code simplification.
Deploy Jekyll with GitHub Pages dependencies preinstalled #673: Commit ab99149 pushed by shyuep
October 23, 2024 15:53 1m 20s master
October 23, 2024 15:53 1m 20s
Support for nested folders (e.g., NEB runs) in VaspDir class.
Deploy Jekyll with GitHub Pages dependencies preinstalled #672: Commit 6025d44 pushed by shyuep
October 23, 2024 15:48 1m 8s master
October 23, 2024 15:48 1m 8s
Fix selective_dyn handling (#4097)
Deploy Jekyll with GitHub Pages dependencies preinstalled #671: Commit 3ee17e2 pushed by shyuep
October 23, 2024 01:28 6m 15s master
October 23, 2024 01:28 6m 15s
Ruff format.
Deploy Jekyll with GitHub Pages dependencies preinstalled #670: Commit 930ae36 pushed by shyuep
October 23, 2024 01:05 1m 8s master
October 23, 2024 01:05 1m 8s
Update docs
Deploy Jekyll with GitHub Pages dependencies preinstalled #669: Commit aa37e99 pushed by shyuep
October 22, 2024 03:10 10m 6s master
October 22, 2024 03:10 10m 6s
Replace deprecated ExpCellFilter with FrechetCellFilter (#4105)
Deploy Jekyll with GitHub Pages dependencies preinstalled #668: Commit 08c1207 pushed by shyuep
October 22, 2024 03:05 4m 37s master
October 22, 2024 03:05 4m 37s
Correctly compute rotational symmetry number for D*h point group (#4093)
Deploy Jekyll with GitHub Pages dependencies preinstalled #667: Commit e67e0b5 pushed by shyuep
October 22, 2024 02:43 16m 8s master
October 22, 2024 02:43 16m 8s
Support Pymatgen Species object in aims (#4118)
Deploy Jekyll with GitHub Pages dependencies preinstalled #666: Commit f7d964c pushed by shyuep
October 22, 2024 02:39 3m 41s master
October 22, 2024 02:39 3m 41s
Bump networkx to 3.x
Deploy Jekyll with GitHub Pages dependencies preinstalled #665: Commit c611280 pushed by shyuep
October 22, 2024 02:31 2m 19s master
October 22, 2024 02:31 2m 19s
Fix minor test regression.
Deploy Jekyll with GitHub Pages dependencies preinstalled #664: Commit b73e215 pushed by shyuep
October 22, 2024 02:29 1m 9s master
October 22, 2024 02:29 1m 9s
Update changelog.
Deploy Jekyll with GitHub Pages dependencies preinstalled #663: Commit 403a931 pushed by shyuep
October 21, 2024 21:14 6m 14s master
October 21, 2024 21:14 6m 14s
Allow more than 20 terminal groups in CompoundPhaseDiagram (#4081)
Deploy Jekyll with GitHub Pages dependencies preinstalled #662: Commit 60441ea pushed by shyuep
October 21, 2024 21:00 6m 8s master
October 21, 2024 21:00 6m 8s
Enhance test for util function is_np_dict_equal (#4092)
Deploy Jekyll with GitHub Pages dependencies preinstalled #661: Commit d699678 pushed by shyuep
October 21, 2024 20:59 19s master
October 21, 2024 20:59 19s
Bump webrick from 1.8.1 to 1.8.2 in /docs (#4090)
Deploy Jekyll with GitHub Pages dependencies preinstalled #660: Commit 4613965 pushed by shyuep
October 21, 2024 20:59 18s master
October 21, 2024 20:59 18s
pre-commit autoupdate (#4096)
Deploy Jekyll with GitHub Pages dependencies preinstalled #659: Commit aff0eb4 pushed by shyuep
October 21, 2024 20:59 17s master
October 21, 2024 20:59 17s
pin python 3.12 in CI and requires-python (#4102)
Deploy Jekyll with GitHub Pages dependencies preinstalled #658: Commit 9424d5f pushed by shyuep
October 21, 2024 20:58 50s master
October 21, 2024 20:58 50s
Remove all no_type_check mark, fix new mypy error in 1.12.0 (#4…
Deploy Jekyll with GitHub Pages dependencies preinstalled #657: Commit 723d9b8 pushed by shyuep
October 21, 2024 20:57 53s master
October 21, 2024 20:57 53s
Properly test ase not installed error, use single skip mark for m…
Deploy Jekyll with GitHub Pages dependencies preinstalled #656: Commit a7a3ba5 pushed by shyuep
October 21, 2024 20:56 1m 20s master
October 21, 2024 20:56 1m 20s
Add support for use_structure_charge keyword in FHI-aims input gene…
Deploy Jekyll with GitHub Pages dependencies preinstalled #655: Commit ddf96bf pushed by shyuep
October 21, 2024 20:55 1m 11s master
October 21, 2024 20:55 1m 11s
Fix arg passing in inverse property of SymmOp (#4113)
Deploy Jekyll with GitHub Pages dependencies preinstalled #654: Commit f4e2838 pushed by shyuep
October 21, 2024 20:54 17s master
October 21, 2024 20:54 17s
Bugfix: Parsing bugs in io.pwscf.PWInput (#4115)
Deploy Jekyll with GitHub Pages dependencies preinstalled #653: Commit 65e21cc pushed by shyuep
October 21, 2024 20:54 27s master
October 21, 2024 20:54 27s
Migrate ext.COD from mysql to REST API (#4117)
Deploy Jekyll with GitHub Pages dependencies preinstalled #652: Commit aa9bdbf pushed by shyuep
October 21, 2024 20:54 31s master
October 21, 2024 20:54 31s