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Added thorough testing for restarting, verifying that all options tha…
Build and test #20: Commit 485ae5a pushed by mb2055
November 6, 2023 15:30 8m 54s feature_restart
November 6, 2023 15:30 8m 54s
Slight change to setting of charge scaled morph
Build and test #19: Commit b85be1b pushed by mb2055
November 6, 2023 15:11 12m 26s feature_restart
November 6, 2023 15:11 12m 26s
Simulations will now start from scratch if restart==True but no check…
Build and test #18: Commit 7965730 pushed by mb2055
November 6, 2023 11:31 13m 42s feature_restart
November 6, 2023 11:31 13m 42s
Merge branch 'main' into feature_restart
Build and test #17: Commit bb9606d pushed by mb2055
November 6, 2023 09:45 15m 50s feature_restart
November 6, 2023 09:45 15m 50s
Fixed config writing
Build and test #16: Commit c8e9f52 pushed by mb2055
November 3, 2023 16:42 15m 48s feature_restart
November 3, 2023 16:42 15m 48s
Added support for resarting from pre-existing checkpoint files.
Build and test #13: Commit 5dcbb1e pushed by mb2055
November 3, 2023 15:44 8m 9s feature_restart
November 3, 2023 15:44 8m 9s
Add note on computing free-energy differences.
Build and test #12: Commit a50d7fc pushed by lohedges
November 3, 2023 15:41 10m 48s main
November 3, 2023 15:41 10m 48s
Improve logging.
Build and test #11: Commit 8f60da1 pushed by lohedges
November 3, 2023 09:41 11m 50s main
November 3, 2023 09:41 11m 50s
Skip concurrent jobs.
Build and test #10: Commit 2fe9025 pushed by lohedges
November 2, 2023 20:54 17m 35s main
November 2, 2023 20:54 17m 35s
Merge pull request #4 from OpenBioSim/feature_logging
Build and test #9: Commit 42129f2 pushed by lohedges
November 2, 2023 19:50 12m 43s main
November 2, 2023 19:50 12m 43s
Initial SOMD2 prototype
Build and test #8: Pull request #4 opened by lohedges
November 2, 2023 19:31 16m 6s feature_logging
November 2, 2023 19:31 16m 6s
Fix error logging and handling within the parallel region.
Build and test #7: Commit 3c730d1 pushed by lohedges
November 2, 2023 16:57 14m 29s feature_logging
November 2, 2023 16:57 14m 29s
Disable run-post step on Windows.
Build and test #6: Commit 5c198e3 pushed by lohedges
November 2, 2023 14:52 12m 48s feature_logging
November 2, 2023 14:52 12m 48s
Use CPU platform for testing.
Build and test #4: Commit 9381e63 pushed by lohedges
November 2, 2023 13:52 17m 59s feature_logging
November 2, 2023 13:52 17m 59s