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Query-by-Committee proof of concept
Build and test #314: Pull request #54 synchronize by kzinovjev
March 28, 2025 18:56 3m 32s kzinovjev:query-by-committee
March 28, 2025 18:56 3m 32s
Query-by-Committee proof of concept
Build and test #313: Pull request #54 opened by kzinovjev
March 28, 2025 18:49 3m 41s kzinovjev:query-by-committee
March 28, 2025 18:49 3m 41s
Merge pull request #53 from chemle/fix_deepmd_import
Build and test #312: Commit 72127d5 pushed by lohedges
March 27, 2025 14:57 12s main
March 27, 2025 14:57 12s
Fix imports for DeePMD backend
Build and test #311: Pull request #53 opened by lohedges
March 27, 2025 14:47 11s fix_deepmd_import
March 27, 2025 14:47 11s
Fix imports for DeePMD backend.
Build and test #310: Commit 70e204a pushed by lohedges
March 27, 2025 14:45 4m 27s fix_deepmd_import
March 27, 2025 14:45 4m 27s
Fix typo in DeepMD class name
Build and test #309: Pull request #52 opened by kzinovjev
March 27, 2025 14:38 4m 26s kzinovjev:deepmd-typo
March 27, 2025 14:38 4m 26s
pages build and deployment
pages-build-deployment #16: by lohedges
March 27, 2025 09:59 25s gh-pages
March 27, 2025 09:59 25s
pages build and deployment
pages-build-deployment #15: by lohedges
March 26, 2025 15:32 25s gh-pages
March 26, 2025 15:32 25s
pages build and deployment
pages-build-deployment #14: by lohedges
March 26, 2025 15:23 28s gh-pages
March 26, 2025 15:23 28s
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
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
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
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
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
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
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
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
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
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