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add-isomer-option
Security #232: Pull request #92 opened by xiangchenjhu
November 25, 2024 20:03 21s add-isomer-option
November 25, 2024 20:03 21s
November 19, 2024 05:58 20s
add-nosec-torch (#91)
Security #230: Commit 0a16add pushed by xiangchenjhu
November 19, 2024 03:38 19s main
November 19, 2024 03:38 19s
add-nosec-torch
Security #229: Pull request #91 synchronize by xiangchenjhu
November 18, 2024 19:08 21s nosec-torch
November 18, 2024 19:08 21s
add-nosec-torch
Security #228: Pull request #91 opened by xiangchenjhu
November 18, 2024 19:01 25s nosec-torch
November 18, 2024 19:01 25s
More recent octahedral embed that can handle carbenes (#85)
Security #227: Commit c50204d pushed by xiangchenjhu
November 14, 2024 20:23 29s main
November 14, 2024 20:23 29s
update dplutils minimum version to 0.8.0 (#88)
Security #224: Commit 404bf12 pushed by xiangchenjhu
November 14, 2024 16:39 29s main
November 14, 2024 16:39 29s
update dplutils minimum version to 0.8.0
Security #223: Pull request #88 opened by xiangchenjhu
November 13, 2024 21:47 26s dplutils-min-version
November 13, 2024 21:47 26s
add contributing helper doc (#86)
Security #222: Commit b85cc3d pushed by xiangchenjhu
November 1, 2024 18:10 26s main
November 1, 2024 18:10 26s
add contributing helper doc
Security #221: Pull request #86 synchronize by xiangchenjhu
November 1, 2024 17:35 25s add-contributing-doc
November 1, 2024 17:35 25s
add contributing helper doc
Security #220: Pull request #86 synchronize by xiangchenjhu
November 1, 2024 17:25 22s add-contributing-doc
November 1, 2024 17:25 22s
add contributing helper doc
Security #219: Pull request #86 synchronize by xiangchenjhu
November 1, 2024 15:52 24s add-contributing-doc
November 1, 2024 15:52 24s
add contributing helper doc
Security #217: Pull request #86 opened by xiangchenjhu
October 31, 2024 19:29 24s add-contributing-doc
October 31, 2024 19:29 24s
add record for xTB, DFT walltime and xyz len (#84)
Security #214: Commit 6a303e0 pushed by xiangchenjhu
October 4, 2024 20:22 25s main
October 4, 2024 20:22 25s
add record for xTB, DFT walltime and xyz len
Security #213: Pull request #84 synchronize by xiangchenjhu
October 4, 2024 19:19 28s legion-add-time-observe
October 4, 2024 19:19 28s
add record for xTB, DFT walltime and xyz len
Security #212: Pull request #84 synchronize by xiangchenjhu
October 4, 2024 13:14 23s legion-add-time-observe
October 4, 2024 13:14 23s
add record for xTB, DFT walltime and xyz len
Security #211: Pull request #84 opened by xiangchenjhu
October 4, 2024 13:11 21s legion-add-time-observe
October 4, 2024 13:11 21s
October 3, 2024 22:21 21s
Update readme to include the latest change: -no_xtb and the sink filter-out task
Security #207: Pull request #81 synchronize by xiangchenjhu
September 27, 2024 17:39 20s update-readme
September 27, 2024 17:39 20s