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Merge pull request #48 from kzinovjev/sander-imin6-fix
Build and test #301: Commit a824ac3 pushed by lohedges
February 12, 2025 11:32 15s main
February 12, 2025 11:32 15s
Sander imin6 fix
Build and test #300: Pull request #48 opened by kzinovjev
February 12, 2025 10:40 4m 21s kzinovjev:sander-imin6-fix
February 12, 2025 10:40 4m 21s
Merge pull request #46 from kzinovjev/xyz-energy-output-fix
Build and test #299: Commit 6ec3f2e pushed by lohedges
February 12, 2025 09:38 16s main
February 12, 2025 09:38 16s
Do not skip first step when logging energy and xyz
Build and test #298: Pull request #47 opened by kzinovjev
February 12, 2025 09:38 4m 20s kzinovjev:first-step-logging-fix
February 12, 2025 09:38 4m 20s
Fix energies and qm.xyz/pc.xyz output issues
Build and test #297: Pull request #46 opened by kzinovjev
February 12, 2025 09:27 4m 13s kzinovjev:xyz-energy-output-fix
February 12, 2025 09:27 4m 13s
Build and test
Build and test #296: by lohedges
February 5, 2025 08:54 18s main
February 5, 2025 08:54 18s
Fix issue #44
Build and test #295: Pull request #45 opened by lohedges
February 5, 2025 08:50 16s fix_44
February 5, 2025 08:50 16s
Make sure atomic_numbers tensor is on the correct device. [closes #44]
Build and test #294: Commit f2c0dd3 pushed by lohedges
February 5, 2025 08:49 4m 19s fix_44
February 5, 2025 08:49 4m 19s
Step reporting should be logged as info, not error.
Build and test #293: Commit 9de5f79 pushed by lohedges
January 28, 2025 11:12 4m 1s main
January 28, 2025 11:12 4m 1s
Merge pull request #43 from kzinovjev/emle-model-optional
Build and test #292: Commit c0de3ae pushed by lohedges
January 27, 2025 18:04 15s main
January 27, 2025 18:04 15s
Make --emle-model argument optional in emle-analyze
Build and test #291: Pull request #43 opened by kzinovjev
January 27, 2025 17:18 4m 34s kzinovjev:emle-model-optional
January 27, 2025 17:18 4m 34s
Fix force unit conversion in XTB backend.
Build and test #290: Commit 3975b61 pushed by lohedges
January 27, 2025 09:45 4m 16s main
January 27, 2025 09:45 4m 16s
Don't format the MACE model string if it's a local file.
Build and test #289: Commit a283616 pushed by lohedges
January 23, 2025 12:55 4m 5s main
January 23, 2025 12:55 4m 5s
Remove redundant import.
Build and test #288: Commit 4eabc7c pushed by lohedges
January 22, 2025 20:10 4m 3s main
January 22, 2025 20:10 4m 3s
Merge pull request #42 from chemle/feature_website
Build and test #287: Commit 1b13bff pushed by lohedges
January 21, 2025 14:09 15s main
January 21, 2025 14:09 15s
Add Sphinx documentation for GitHub pages website
Build and test #286: Pull request #42 opened by lohedges
January 21, 2025 14:08 15s feature_website
January 21, 2025 14:08 15s
Fix name of environment file.
Build and test #285: Commit 891c8e4 pushed by lohedges
January 21, 2025 13:24 4m 15s feature_website
January 21, 2025 13:24 4m 15s
Fix server handling in tests.
Build and test #283: Commit 82a007d pushed by lohedges
January 20, 2025 17:04 4m 0s main
January 20, 2025 17:04 4m 0s
Fix zombie emle-server processes.
Build and test #282: Commit 518565e pushed by lohedges
January 20, 2025 15:44 26m 34s main
January 20, 2025 15:44 26m 34s
Merge branch 'main' into feature_website
Build and test #281: Commit 8917afe pushed by lohedges
January 20, 2025 13:07 42s feature_website
January 20, 2025 13:07 42s
Workaround for dangling pt_main_thread child process.
Build and test #280: Commit a10cabf pushed by lohedges
January 20, 2025 13:05 4m 27s main
January 20, 2025 13:05 4m 27s
Add missing separator.
Build and test #279: Commit 3f0cbac pushed by lohedges
January 20, 2025 09:12 4m 12s main
January 20, 2025 09:12 4m 12s
Merge pull request #41 from kzinovjev/emle-analyze-fix
Build and test #278: Commit 6926142 pushed by lohedges
January 19, 2025 12:58 12s main
January 19, 2025 12:58 12s
Emle analyze fix
Build and test #277: Pull request #41 opened by kzinovjev
January 19, 2025 11:41 4m 21s kzinovjev:emle-analyze-fix
January 19, 2025 11:41 4m 21s
Merge pull request #40 from chemle/feature_backends
Build and test #276: Commit 68c27a5 pushed by lohedges
January 13, 2025 09:07 4m 25s main
January 13, 2025 09:07 4m 25s