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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
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
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
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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
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
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
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
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
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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
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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
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
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
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
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
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
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
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
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
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
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
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
master
October 21, 2024 20:54 31s
Fix savefig in pmg.cli.plot (#4109) Deploy Jekyll with GitHub Pages dependencies preinstalled #651: Commit a28e1da pushed by shyuep
October 21, 2024 20:52 1m 9s master
master
October 21, 2024 20:52 1m 9s
bump networkx to 2.7 to fix intermittent CI failure when torch in… Deploy Jekyll with GitHub Pages dependencies preinstalled #650: Commit 8a4822a pushed by shyuep
October 21, 2024 20:52 12m 26s master
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October 21, 2024 20:52 12m 26s
fix: preserve site properties over cell transform (#4123) Deploy Jekyll with GitHub Pages dependencies preinstalled #649: Commit 7b7e61b pushed by shyuep
October 21, 2024 20:51 1m 29s master
master
October 21, 2024 20:51 1m 29s
Fix gaussian input parser, and add test (#4127) Deploy Jekyll with GitHub Pages dependencies preinstalled #648: Commit 52eeeea pushed by shyuep
October 21, 2024 20:50 1m 54s master
master
October 21, 2024 20:50 1m 54s