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unpin chgnet==0.3.5, now allow >=0.3.8
Deploy Jekyll with GitHub Pages dependencies preinstalled #407: Commit 74aec89 pushed by janosh
June 5, 2024 17:24 1m 10s master
June 5, 2024 17:24 1m 10s
v2024.6.4
Deploy Jekyll with GitHub Pages dependencies preinstalled #406: Commit 163cc01 pushed by janosh
June 4, 2024 17:35 2m 21s master
June 4, 2024 17:35 2m 21s
update tests/files/.pytest-split-durations
Deploy Jekyll with GitHub Pages dependencies preinstalled #405: Commit d38aee2 pushed by janosh
June 4, 2024 17:32 1m 7s master
June 4, 2024 17:32 1m 7s
Add new .pmgrc.yaml setting PMG_VASP_PSP_SUB_DIRS: dict[str, str]
Deploy Jekyll with GitHub Pages dependencies preinstalled #404: Commit c55e056 pushed by janosh
June 4, 2024 16:19 1m 15s master
June 4, 2024 16:19 1m 15s
Clarify argument shift for SlabGenerator.get_slab (#3748)
Deploy Jekyll with GitHub Pages dependencies preinstalled #403: Commit eed8403 pushed by janosh
June 3, 2024 20:42 57s master
June 3, 2024 20:42 57s
Add CI run without 'optional' deps installed (#3857)
Deploy Jekyll with GitHub Pages dependencies preinstalled #402: Commit d1fac20 pushed by janosh
June 3, 2024 19:14 54s master
June 3, 2024 19:14 54s
Fix filter condition for warn msg of unphysical site occupancy in `io…
Deploy Jekyll with GitHub Pages dependencies preinstalled #401: Commit 1a5af18 pushed by janosh
June 3, 2024 16:22 1m 3s master
June 3, 2024 16:22 1m 3s
Run CI with two different uv resolution strategies: highest and `…
Deploy Jekyll with GitHub Pages dependencies preinstalled #400: Commit eccf075 pushed by janosh
June 3, 2024 16:09 1m 4s master
June 3, 2024 16:09 1m 4s
v2024.5.31
Deploy Jekyll with GitHub Pages dependencies preinstalled #399: Commit 2982968 pushed by janosh
May 31, 2024 19:13 1m 41s master
May 31, 2024 19:13 1m 41s
Add type annotations for io.vasp.outputs (#3776)
Deploy Jekyll with GitHub Pages dependencies preinstalled #398: Commit c70e5b8 pushed by shyuep
May 31, 2024 19:06 2m 20s master
May 31, 2024 19:06 2m 20s
Update reqs.
Deploy Jekyll with GitHub Pages dependencies preinstalled #397: Commit cd8846b pushed by shyuep
May 31, 2024 19:05 1m 3s master
May 31, 2024 19:05 1m 3s
[Deprecation] Replace Element property is_rare_earth_metal with `…
Deploy Jekyll with GitHub Pages dependencies preinstalled #396: Commit f214a5c pushed by shyuep
May 30, 2024 19:55 1m 0s master
May 30, 2024 19:55 1m 0s
Improve unphysical (greater than 1) occupancy handling in CifParser
Deploy Jekyll with GitHub Pages dependencies preinstalled #395: Commit a772ddb pushed by shyuep
May 30, 2024 19:34 17m 7s master
May 30, 2024 19:34 17m 7s
Use isclose over == for overlap position check in `SlabGenerator.…
Deploy Jekyll with GitHub Pages dependencies preinstalled #394: Commit 0c9ff40 pushed by shyuep
May 30, 2024 19:33 55s master
May 30, 2024 19:33 55s
--- (#3842)
Deploy Jekyll with GitHub Pages dependencies preinstalled #393: Commit 8c853cf pushed by shyuep
May 30, 2024 19:33 3m 26s master
May 30, 2024 19:33 3m 26s
Fix regression.
Deploy Jekyll with GitHub Pages dependencies preinstalled #392: Commit 541b58b pushed by shyuep
May 30, 2024 17:35 59s master
May 30, 2024 17:35 59s
Add unittests for NotImplementedError.
Deploy Jekyll with GitHub Pages dependencies preinstalled #391: Commit 594f189 pushed by shyuep
May 30, 2024 17:31 56s master
May 30, 2024 17:31 56s
Raise NotImplementedError for Species.full_electronic_structure and
Deploy Jekyll with GitHub Pages dependencies preinstalled #390: Commit 594f769 pushed by shyuep
May 30, 2024 17:26 1m 2s master
May 30, 2024 17:26 1m 2s
pandas.read_csv: replace deprecated delim_whitespace=True with `s…
Deploy Jekyll with GitHub Pages dependencies preinstalled #389: Commit d2237a8 pushed by janosh
May 28, 2024 21:11 1m 11s master
May 28, 2024 21:11 1m 11s
Improve type annotations for core.structure (#3837)
Deploy Jekyll with GitHub Pages dependencies preinstalled #388: Commit d0ad785 pushed by janosh
May 25, 2024 07:54 59s master
May 25, 2024 07:54 59s
Update VASP sets to transition atomate2 to use pymatgen input sets ex…
Deploy Jekyll with GitHub Pages dependencies preinstalled #387: Commit 74e692b pushed by shyuep
May 23, 2024 14:39 1m 7s master
May 23, 2024 14:39 1m 7s
Bump nokogiri from 1.16.2 to 1.16.5 in /docs (#3828)
Deploy Jekyll with GitHub Pages dependencies preinstalled #386: Commit 14b7357 pushed by shyuep
May 17, 2024 17:46 1m 38s master
May 17, 2024 17:46 1m 38s
Bump rexml from 3.2.5 to 3.2.8 in /docs (#3836)
Deploy Jekyll with GitHub Pages dependencies preinstalled #385: Commit d42928a pushed by shyuep
May 17, 2024 17:46 1m 6s master
May 17, 2024 17:46 1m 6s
Improve type annotations for core.(trajectory/units) (#3832)
Deploy Jekyll with GitHub Pages dependencies preinstalled #384: Commit 6a84d8a pushed by janosh
May 17, 2024 13:23 1m 9s master
May 17, 2024 13:23 1m 9s
Fix the minor document error in POTCAR Setup. (#3834)
Deploy Jekyll with GitHub Pages dependencies preinstalled #383: Commit 3f436de pushed by janosh
May 17, 2024 13:19 1m 7s master
May 17, 2024 13:19 1m 7s