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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
pages build and deployment
pages-build-deployment #12: by lohedges
January 29, 2025 16:39 27s gh-pages
January 29, 2025 16:39 27s
pages build and deployment
pages-build-deployment #11: by lohedges
January 29, 2025 15:59 25s gh-pages
January 29, 2025 15:59 25s
pages build and deployment
pages-build-deployment #10: by lohedges
January 29, 2025 15:53 27s gh-pages
January 29, 2025 15:53 27s
pages build and deployment
pages-build-deployment #9: by lohedges
January 29, 2025 13:51 30s gh-pages
January 29, 2025 13:51 30s
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
pages build and deployment
pages-build-deployment #8: by lohedges
January 23, 2025 12:55 25s gh-pages
January 23, 2025 12:55 25s
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
pages build and deployment
pages-build-deployment #7: by lohedges
January 22, 2025 14:35 29s gh-pages
January 22, 2025 14:35 29s
pages build and deployment
pages-build-deployment #6: by lohedges
January 22, 2025 11:56 24s gh-pages
January 22, 2025 11:56 24s
pages build and deployment
pages-build-deployment #5: by lohedges
January 21, 2025 16:50 31s gh-pages
January 21, 2025 16:50 31s
pages build and deployment
pages-build-deployment #4: by lohedges
January 21, 2025 15:30 23s gh-pages
January 21, 2025 15:30 23s
pages build and deployment
pages-build-deployment #3: by lohedges
January 21, 2025 14:15 25s gh-pages
January 21, 2025 14:15 25s
pages build and deployment
pages-build-deployment #2: by lohedges
January 21, 2025 14:11 36s gh-pages
January 21, 2025 14:11 36s