Skip to content

Actions: chemle/emle-engine

Actions

All workflows

Actions

Loading...
Loading

Showing runs from all workflows
233 workflow runs
233 workflow runs

Filter by Event

Filter by Status

Filter by Branch

Filter by Actor

Merge pull request #51 from kzinovjev/emle-analyze-alpha-mode Build and test #308: Commit 459ac5b pushed by lohedges
March 18, 2025 16:56 12s main
main
March 18, 2025 16:56 12s
Add alpha-mode argument to emle-analyze Build and test #307: Pull request #51 opened by kzinovjev
March 18, 2025 16:31 4m 5s kzinovjev:emle-analyze-alpha-mode
kzinovjev:emle-analyze-alpha-mode
March 18, 2025 16:31 4m 5s
Merge pull request #50 from kzinovjev/mace-cutoff-fix Build and test #306: Commit 5564592 pushed by lohedges
March 11, 2025 14:24 15s main
main
March 11, 2025 14:24 15s
Convert MACE neighbor cutoff to float Build and test #305: Pull request #50 synchronize by kzinovjev
March 11, 2025 14:14 4m 14s kzinovjev:mace-cutoff-fix
kzinovjev:mace-cutoff-fix
March 11, 2025 14:14 4m 14s
Convert MACE neighbor cutoff to float Build and test #304: Pull request #50 opened by kzinovjev
March 11, 2025 13:21 4m 3s kzinovjev:mace-cutoff-fix
kzinovjev:mace-cutoff-fix
March 11, 2025 13:21 4m 3s
Merge pull request #49 from kzinovjev/orca6-alpha-fix Build and test #303: Commit 14a1f80 pushed by lohedges
March 8, 2025 10:48 12s main
main
March 8, 2025 10:48 12s
Fix polarizability parsing for ORCA 6 outputs Build and test #302: Pull request #49 opened by kzinovjev
March 8, 2025 09:43 4m 11s kzinovjev:orca6-alpha-fix
kzinovjev:orca6-alpha-fix
March 8, 2025 09:43 4m 11s
pages build and deployment pages-build-deployment #13: by lohedges
March 7, 2025 18:20 22s gh-pages
gh-pages
March 7, 2025 18:20 22s
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
gh-pages
January 23, 2025 12:55 25s