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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
Default to save_settings=False. Build and test #64: Commit 931e6e1 pushed by lohedges
January 23, 2024 14:38 3m 59s feature_logging
feature_logging
January 23, 2024 14:38 3m 59s
Add support for basic error logging Build and test #63: Pull request #5 synchronize by lohedges
January 23, 2024 14:26 19s feature_logging
feature_logging
January 23, 2024 14:26 19s
Re-use dirname variable. Build and test #62: Commit b79b5ba pushed by lohedges
January 23, 2024 14:26 4m 2s feature_logging
feature_logging
January 23, 2024 14:26 4m 2s
Add support for basic error logging Build and test #61: Pull request #5 synchronize by lohedges
January 23, 2024 14:24 16s feature_logging
feature_logging
January 23, 2024 14:24 16s
Fix setting of default energy frequency. Build and test #60: Commit bdf8505 pushed by lohedges
January 23, 2024 14:24 4m 4s feature_logging
feature_logging
January 23, 2024 14:24 4m 4s
Add support for basic error logging Build and test #59: Pull request #5 opened by lohedges
January 23, 2024 14:01 16s feature_logging
feature_logging
January 23, 2024 14:01 16s
Default to no energy logging. Build and test #58: Commit 2849bcc pushed by lohedges
January 23, 2024 13:34 4m 19s feature_logging
feature_logging
January 23, 2024 13:34 4m 19s
Log to sys.stderr if the user doesn't specify a file. Build and test #57: Commit a3e393a pushed by lohedges
January 23, 2024 12:36 4m 15s feature_logging
feature_logging
January 23, 2024 12:36 4m 15s
Update config keyword. Build and test #56: Commit def0ebe pushed by lohedges
January 23, 2024 12:12 28m 56s feature_logging
feature_logging
January 23, 2024 12:12 28m 56s
Add basic error logging. Build and test #55: Commit f121f97 pushed by lohedges
January 23, 2024 12:02 7m 9s feature_logging
feature_logging
January 23, 2024 12:02 7m 9s
Merge pull request #4 from kzinovjev/patch-1 Build and test #54: Commit 801fc63 pushed by lohedges
January 20, 2024 09:37 13s main
main
January 20, 2024 09:37 13s
Sqm backend fixes Build and test #53: Pull request #4 opened by kzinovjev
January 20, 2024 08:14 4m 16s kzinovjev:patch-1
kzinovjev:patch-1
January 20, 2024 08:14 4m 16s
Make ORCA executable path an explicit option. Build and test #52: Commit 5d531a4 pushed by lohedges
January 19, 2024 19:43 4m 6s main
main
January 19, 2024 19:43 4m 6s
Fix assignment of default backend. Build and test #51: Commit 4d7f9cd pushed by lohedges
January 19, 2024 18:33 4m 14s main
main
January 19, 2024 18:33 4m 14s
Make docstring formatting consistent. Build and test #50: Commit e011640 pushed by lohedges
January 12, 2024 12:50 4m 16s main
main
January 12, 2024 12:50 4m 16s
Add pyyaml to requirements. Build and test #49: Commit b11ddb4 pushed by lohedges
January 11, 2024 14:46 4m 11s main
main
January 11, 2024 14:46 4m 11s
Merge pull request #3 from chemle/feature_sire Build and test #48: Commit aaee9a2 pushed by lohedges
January 11, 2024 12:56 19s main
main
January 11, 2024 12:56 19s