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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
Merge pull request #30 from OpenBioSim/fix_28_29 Build and test #118: Commit b6d98c5 pushed by lohedges
March 21, 2024 18:59 3m 11s main
main
March 21, 2024 18:59 3m 11s
Fix issues #28 and #29 Build and test #116: Pull request #30 synchronize by lohedges
March 21, 2024 10:07 15s fix_28_29
fix_28_29
March 21, 2024 10:07 15s
Merge remote-tracking branch 'fjclark/feature_abfe' into fix_28_29 Build and test #115: Commit 634180f pushed by lohedges
March 21, 2024 10:07 13m 59s fix_28_29
fix_28_29
March 21, 2024 10:07 13m 59s
Try manual garbage collection to force closure of trajectory file. Build and test #109: Commit 24fd8b1 pushed by lohedges
March 19, 2024 13:21 16m 19s fix_28_29
fix_28_29
March 19, 2024 13:21 16m 19s
Handle trajectory files during restarts. Build and test #108: Commit 308f469 pushed by lohedges
March 19, 2024 12:49 11m 8s fix_28_29
fix_28_29
March 19, 2024 12:49 11m 8s
Exclude ions from the perturbation. Build and test #106: Commit ddef28f pushed by lohedges
March 13, 2024 16:07 19m 11s main
main
March 13, 2024 16:07 19m 11s
Merge pull request #27 from OpenBioSim/feature_somd1_compatibility3 Build and test #105: Commit 243311e pushed by lohedges
March 13, 2024 14:48 14s main
main
March 13, 2024 14:48 14s
Move pert_file CLI option into Config class Build and test #104: Pull request #27 synchronize by lohedges
March 13, 2024 12:16 15s feature_somd1_compatibility3
feature_somd1_compatibility3
March 13, 2024 12:16 15s
Fix error message. Build and test #103: Commit 09c9e7c pushed by lohedges
March 13, 2024 12:16 12m 36s feature_somd1_compatibility3
feature_somd1_compatibility3
March 13, 2024 12:16 12m 36s