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Add support for using no backend. Build and test #92: Commit bcec107 pushed by lohedges
April 22, 2024 10:35 4m 38s feature_no_backend
feature_no_backend
April 22, 2024 10:35 4m 38s
Merge branch 'main' into feature_ace Build and test #88: Commit 1f42c91 pushed by lohedges
April 11, 2024 15:21 4m 50s feature_ace
feature_ace
April 11, 2024 15:21 4m 50s
Merge pull request #13 from chemle/fix_12 Build and test #87: Commit 91dae48 pushed by lohedges
April 11, 2024 15:20 4m 41s main
main
April 11, 2024 15:20 4m 41s
Merge branch 'main' into feature_ace Build and test #86: Commit a81af36 pushed by lohedges
April 11, 2024 14:54 4m 47s feature_ace
feature_ace
April 11, 2024 14:54 4m 47s
Merge pull request #11 from kzinovjev/main Build and test #85: Commit a1eb838 pushed by lohedges
April 11, 2024 14:51 14s main
main
April 11, 2024 14:51 14s
Refactor DeepMD backend (fixes wrong deviation calculation) Build and test #84: Pull request #11 opened by kzinovjev
April 11, 2024 14:45 4m 37s kzinovjev:main
kzinovjev:main
April 11, 2024 14:45 4m 37s
Merge pull request #10 from kzinovjev/main Build and test #83: Commit 6020513 pushed by lohedges
April 8, 2024 11:22 12s main
main
April 8, 2024 11:22 12s
Fork sync Build and test #82: Pull request #10 opened by kzinovjev
April 8, 2024 11:04 12s kzinovjev:main
kzinovjev:main
April 8, 2024 11:04 12s
Make sure the deviation file is None if not used. Build and test #81: Commit 2b29a27 pushed by lohedges
April 8, 2024 10:44 4m 50s main
main
April 8, 2024 10:44 4m 50s
Merge pull request #9 from chemle/feature_qm_xyz Build and test #80: Commit 92fb348 pushed by lohedges
April 8, 2024 10:34 13s main
main
April 8, 2024 10:34 13s
Implement dumping QM region to xyz trajectory Build and test #79: Pull request #8 synchronize by kzinovjev
April 8, 2024 10:24 4m 21s kzinovjev:main
kzinovjev:main
April 8, 2024 10:24 4m 21s
Tweaks to PR #8 Build and test #78: Pull request #9 synchronize by lohedges
April 8, 2024 10:18 14s feature_qm_xyz
feature_qm_xyz
April 8, 2024 10:18 14s
Clear EMLE environment variables before each test. Build and test #77: Commit f39badf pushed by lohedges
April 8, 2024 10:18 4m 46s feature_qm_xyz
feature_qm_xyz
April 8, 2024 10:18 4m 46s
Tweaks to PR #8 Build and test #76: Pull request #9 opened by lohedges
April 8, 2024 08:52 16s feature_qm_xyz
feature_qm_xyz
April 8, 2024 08:52 16s
Add test for QM XYZ file creation. Build and test #75: Commit d1ced17 pushed by lohedges
April 8, 2024 08:50 7m 33s feature_qm_xyz
feature_qm_xyz
April 8, 2024 08:50 7m 33s
Implement dumping QM region to xyz trajectory Build and test #74: Pull request #8 opened by kzinovjev
April 5, 2024 21:29 4m 12s kzinovjev:main
kzinovjev:main
April 5, 2024 21:29 4m 12s
Merge pull request #7 from kzinovjev/patch-2 Build and test #73: Commit c110865 pushed by lohedges
February 21, 2024 09:28 15s main
main
February 21, 2024 09:28 15s
Typo Build and test #72: Pull request #7 opened by kzinovjev
February 21, 2024 09:17 3m 51s kzinovjev:patch-2
kzinovjev:patch-2
February 21, 2024 09:17 3m 51s
Expose 'deepmd_deviation' kwarg via emle-server executable. Build and test #71: Commit 3f47329 pushed by lohedges
February 21, 2024 09:15 4m 4s main
main
February 21, 2024 09:15 4m 4s
Merge pull request #6 from kzinovjev/main Build and test #70: Commit 476033c pushed by lohedges
February 21, 2024 09:04 16s main
main
February 21, 2024 09:04 16s
Implement calculating and dumping deviation between DeepMD models Build and test #69: Pull request #6 opened by kzinovjev
February 20, 2024 18:48 4m 2s kzinovjev:main
kzinovjev:main
February 20, 2024 18:48 4m 2s
Improve default options when using emle-server. Build and test #68: Commit 480c3e4 pushed by lohedges
January 24, 2024 09:12 4m 3s main
main
January 24, 2024 09:12 4m 3s
Clarify unit of energy_frequency. Build and test #67: Commit ce39507 pushed by lohedges
January 23, 2024 16:02 3m 58s main
main
January 23, 2024 16:02 3m 58s
Merge pull request #5 from chemle/feature_logging Build and test #66: Commit bc96e78 pushed by lohedges
January 23, 2024 15:41 15s main
main
January 23, 2024 15:41 15s
Add support for basic error logging Build and test #65: Pull request #5 synchronize by lohedges
January 23, 2024 14:38 19s feature_logging
feature_logging
January 23, 2024 14:38 19s