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Update lobster task schema
testing #2896: Pull request #529 synchronize by naik-aakash
November 8, 2023 20:24 1h 19m 42s naik-aakash:update_lobster_schema
November 8, 2023 20:24 1h 19m 42s
Add setting VASP_RUN_DDEC6: bool = False (#587)
testing #2894: Commit 6740ffa pushed by janosh
November 8, 2023 20:00 13m 33s main
November 8, 2023 20:00 13m 33s
Add setting VASP_RUN_DDEC6: bool = False
testing #2893: Pull request #587 synchronize by janosh
November 8, 2023 20:00 16m 0s vasp-run-ddec6
November 8, 2023 20:00 16m 0s
Add FHI-aims DFT calculator
testing #2892: Pull request #562 synchronize by tpurcell90
November 8, 2023 19:50 17m 12s tpurcell90:atomate2-aims
November 8, 2023 19:50 17m 12s
Update lobster task schema
testing #2891: Pull request #529 synchronize by Zhuoying
November 8, 2023 18:05 17m 57s naik-aakash:update_lobster_schema
November 8, 2023 18:05 17m 57s
Merge pull request #605 from JaGeo/solve_bandstructure_bug
testing #2890: Commit 08dd9ee pushed by utf
November 8, 2023 13:41 12m 48s main
November 8, 2023 13:41 12m 48s
Resolve bandstructure datastore bug
testing #2889: Pull request #605 synchronize by utf
November 8, 2023 13:40 9m 35s JaGeo:solve_bandstructure_bug
November 8, 2023 13:40 9m 35s
Resolve bandstructure datastore bug
testing #2887: Pull request #605 opened by JaGeo
November 7, 2023 06:23 14m 32s JaGeo:solve_bandstructure_bug
November 7, 2023 06:23 14m 32s
[WIP] First pass at porting QChem into atomate2, waiting on concurrent PR approvals
testing #2886: Pull request #161 synchronize by rdguha1995
November 7, 2023 00:21 11m 54s rdguha1995:main
November 7, 2023 00:21 11m 54s
Merge pull request #585 from jmmshn/patch_prv
testing #2885: Commit e6a58e9 pushed by Zhuoying
November 6, 2023 19:02 16m 24s main
November 6, 2023 19:02 16m 24s
Allow prv_dir to be used more in defect wf
testing #2884: Pull request #585 synchronize by Zhuoying
November 6, 2023 18:40 16m 45s jmmshn:patch_prv
November 6, 2023 18:40 16m 45s
Bump emmet-core from 0.71.2 to 0.72.8
testing #2883: Pull request #603 opened by dependabot bot
November 6, 2023 07:20 1h 15m 1s dependabot/pip/emmet-core-0.72.8
November 6, 2023 07:20 1h 15m 1s
Bump monty from 2023.9.25 to 2023.11.3
testing #2882: Pull request #602 opened by dependabot bot
November 6, 2023 07:19 6m 2s dependabot/pip/monty-2023.11.3
November 6, 2023 07:19 6m 2s
Bump ipython from 8.16.1 to 8.17.2
testing #2881: Pull request #601 opened by dependabot bot
November 6, 2023 07:19 1h 16m 25s dependabot/pip/ipython-8.17.2
November 6, 2023 07:19 1h 16m 25s
drop black for ruff-format
testing #2879: Commit 7c2d2b1 pushed by janosh
November 2, 2023 02:01 16m 7s main
November 2, 2023 02:01 16m 7s
Add setting VASP_RUN_DDEC6: bool = False
testing #2878: Pull request #587 synchronize by janosh
November 2, 2023 01:45 14m 5s vasp-run-ddec6
November 2, 2023 01:45 14m 5s
Update lobster task schema
testing #2877: Pull request #529 synchronize by naik-aakash
November 1, 2023 18:21 17m 17s naik-aakash:update_lobster_schema
November 1, 2023 18:21 17m 17s
Add magnetic orderings workflow
testing #2876: Pull request #432 synchronize by mattmcdermott
October 31, 2023 20:40 16m 21s mattmcdermott:magnetic_orderings
October 31, 2023 20:40 16m 21s
Add magnetic orderings workflow
testing #2875: Pull request #432 synchronize by mattmcdermott
October 31, 2023 20:23 13m 48s mattmcdermott:magnetic_orderings
October 31, 2023 20:23 13m 48s
Multi step MD flow
testing #2874: Pull request #489 synchronize by gpetretto
October 31, 2023 12:48 8m 43s gpetretto:mdflow
October 31, 2023 12:48 8m 43s
Add FHI-aims DFT calculator
testing #2873: Pull request #562 synchronize by tpurcell90
October 31, 2023 06:31 16m 44s tpurcell90:atomate2-aims
October 31, 2023 06:31 16m 44s
Add FHI-aims DFT calculator
testing #2872: Pull request #562 synchronize by tpurcell90
October 30, 2023 20:16 8m 10s tpurcell90:atomate2-aims
October 30, 2023 20:16 8m 10s
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