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Make sure all LJ sigma values are non-zero. Build and test #146: Commit 8cfc3c2 pushed by lohedges
May 30, 2024 08:19 13m 16s fix_ghost_sigmas
fix_ghost_sigmas
May 30, 2024 08:19 13m 16s
Update README.md Build and test #145: Pull request #45 opened by jmichel80
May 29, 2024 15:19 14s jmichel80-patch-1
jmichel80-patch-1
May 29, 2024 15:19 14s
Update README.md Build and test #144: Commit e0686be pushed by jmichel80
May 29, 2024 15:19 13m 15s jmichel80-patch-1
jmichel80-patch-1
May 29, 2024 15:19 13m 15s
Need to re-link properties to the reference state since LJ is lost. Build and test #143: Commit e7717ad pushed by lohedges
May 23, 2024 13:24 12m 23s fix_ghost_sigmas
fix_ghost_sigmas
May 23, 2024 13:24 12m 23s
Add functionality to fix LJ sigmas for ghost atoms. Build and test #142: Commit 3e51375 pushed by lohedges
May 21, 2024 11:27 12m 56s fix_ghost_sigmas
fix_ghost_sigmas
May 21, 2024 11:27 12m 56s
Add support for saving energy contribution from each force. Build and test #141: Commit 5e73871 pushed by lohedges
May 17, 2024 09:59 12m 59s feature_energy_components
feature_energy_components
May 17, 2024 09:59 12m 59s
Add git to environment to avoid scm get_version error on macOS arm64. Build and test #140: Commit 3499d66 pushed by lohedges
May 2, 2024 12:31 14m 33s main
main
May 2, 2024 12:31 14m 33s
Merge pull request #43 from OpenBioSim/fix_null_bonded_terms Build and test #139: Commit 09d276f pushed by lohedges
May 2, 2024 12:14 7m 28s main
main
May 2, 2024 12:14 7m 28s
Fix form of null bonded terms Build and test #138: Pull request #43 opened by lohedges
May 2, 2024 08:46 15s fix_null_bonded_terms
fix_null_bonded_terms
May 2, 2024 08:46 15s
Fix form of null bonded terms by simply not adding them. Build and test #137: Commit e53a380 pushed by lohedges
May 2, 2024 08:45 11m 39s fix_null_bonded_terms
fix_null_bonded_terms
May 2, 2024 08:45 11m 39s
Merge pull request #42 from OpenBioSim/feature_lambda_values Build and test #134: Commit fb2974b pushed by mb2055
April 25, 2024 13:02 16s main
main
April 25, 2024 13:02 16s
Add support for using a custom list of lambda values Build and test #133: Pull request #42 synchronize by lohedges
April 25, 2024 10:06 16s feature_lambda_values
feature_lambda_values
April 25, 2024 10:06 16s
Use lambda window value for in filename rather than index. Build and test #132: Commit be7dc3c pushed by lohedges
April 25, 2024 10:06 18m 45s feature_lambda_values
feature_lambda_values
April 25, 2024 10:06 18m 45s
Add support for using a custom list of lambda values Build and test #131: Pull request #42 synchronize by lohedges
April 24, 2024 15:33 19s feature_lambda_values
feature_lambda_values
April 24, 2024 15:33 19s
Use class attribute, not Config attribute. Build and test #130: Commit 7aa19fb pushed by lohedges
April 24, 2024 15:33 3m 56s feature_lambda_values
feature_lambda_values
April 24, 2024 15:33 3m 56s
Add support for using a custom list of lambda values Build and test #129: Pull request #42 synchronize by lohedges
April 24, 2024 15:24 14s feature_lambda_values
feature_lambda_values
April 24, 2024 15:24 14s
Fix lambda_array stored in checkpoint metadata. Build and test #128: Commit eb1c4aa pushed by lohedges
April 24, 2024 15:24 12m 50s feature_lambda_values
feature_lambda_values
April 24, 2024 15:24 12m 50s
Add support for using a custom list of lambda values Build and test #127: Pull request #42 synchronize by lohedges
April 24, 2024 15:14 23s feature_lambda_values
feature_lambda_values
April 24, 2024 15:14 23s
Add support for sampling energies at different lambda values. Build and test #126: Commit 843c63b pushed by lohedges
April 24, 2024 15:12 9m 51s feature_lambda_values
feature_lambda_values
April 24, 2024 15:12 9m 51s
Add support for using a custom list of lambda values Build and test #125: Pull request #42 opened by lohedges
April 24, 2024 14:07 21s feature_lambda_values
feature_lambda_values
April 24, 2024 14:07 21s
Add support for using a custom list of lambda values. [closes #41] Build and test #124: Commit a76d0a7 pushed by lohedges
April 24, 2024 14:01 15m 35s feature_lambda_values
feature_lambda_values
April 24, 2024 14:01 15m 35s
Merge pull request #40 from OpenBioSim/feature_version Build and test #123: Commit 91348d8 pushed by lohedges
April 9, 2024 12:13 15s main
main
April 9, 2024 12:13 15s
Improve versioning Build and test #122: Pull request #40 opened by lohedges
April 8, 2024 11:56 13s feature_version
feature_version
April 8, 2024 11:56 13s
Add somd2 and sire versions to parquet file metadata. Build and test #121: Commit 9954b82 pushed by lohedges
April 8, 2024 11:49 15m 16s feature_version
feature_version
April 8, 2024 11:49 15m 16s
Make version information more accessible Build and test #120: Pull request #39 opened by fjclark
March 29, 2024 11:36 11m 41s fjclark:feature_improve_versioning
fjclark:feature_improve_versioning
March 29, 2024 11:36 11m 41s