Skip to content

Actions: OpenBioSim/somd2

Actions

All workflows

Actions

Loading...
Loading

Showing runs from all workflows
100 workflow runs
100 workflow runs

Filter by Event

Filter by Status

Filter by Branch

Filter by Actor

No longer need to use mixed Sire API. .github/workflows/main.yaml #364: Commit 8454295 pushed by lohedges
9m 7s main
main
9m 7s
Merge pull request #79 from OpenBioSim/feature_gcmc .github/workflows/main.yaml #363: Commit df3e05f pushed by lohedges
12s main
main
12s
Feature GCMC .github/workflows/main.yaml #362: Pull request #79 synchronize by lohedges
8m 56s feature_gcmc
feature_gcmc
8m 56s
Feature GCMC .github/workflows/main.yaml #361: Pull request #79 opened by lohedges
8m 31s feature_gcmc
feature_gcmc
8m 31s
Pad trajectory chunk file names to fix sorting. [closes #76] .github/workflows/main.yaml #360: Commit fb64dee pushed by lohedges
9m 3s main
main
9m 3s
Backport ghostly fixes. .github/workflows/main.yaml #358: Commit 98f4852 pushed by lohedges
7m 39s main
main
7m 39s
Merge pull request #73 from OpenBioSim/fix_no_checkpointing .github/workflows/main.yaml #354: Commit 4ff6952 pushed by lohedges
16s main
main
16s
Small fix for parquet files when checkpointing is switched off .github/workflows/main.yaml #353: Pull request #73 opened by mb2055
11s fix_no_checkpointing
fix_no_checkpointing
11s
Ensures that lambda_energy and lambda_grad are correctly passed to pa… .github/workflows/main.yaml #352: Commit d3454eb pushed by mb2055
7m 23s fix_no_checkpointing
fix_no_checkpointing
7m 23s
Convert Sire containers to lists prior to comparison. .github/workflows/main.yaml #350: Commit 84c81fb pushed by lohedges
8m 2s main
main
8m 2s
Use sys.exit() rather than exit(). .github/workflows/main.yaml #349: Commit 1630f41 pushed by lohedges
7m 52s main
main
7m 52s
Only reconstruct SOMD1 system when ghost atom mods are enabled. .github/workflows/main.yaml #344: Commit 57769d4 pushed by lohedges
7m 36s main
main
7m 36s
Merge pull request #70 from OpenBioSim/fix_69 .github/workflows/main.yaml #298: Commit cd6fd25 pushed by lohedges
11s main
main
11s
Fix issue #69 .github/workflows/main.yaml #297: Pull request #70 opened by lohedges
13s fix_69
fix_69
13s
Fix handling of REST2 scale factors when subsampling. [closes #69] .github/workflows/main.yaml #296: Commit 13366ac pushed by lohedges
7m 21s fix_69
fix_69
7m 21s
Fix setting of REST2 scale factors. .github/workflows/main.yaml #295: Commit 40e4254 pushed by lohedges
6m 54s main
main
6m 54s
Merge pull request #68 from OpenBioSim/fix_67 .github/workflows/main.yaml #294: Commit 6f11327 pushed by lohedges
17s main
main
17s
Fix for #67 .github/workflows/main.yaml #293: Pull request #68 opened by mb2055
15s fix_67
fix_67
15s
Fix for checkpint_frequency > runtime .github/workflows/main.yaml #292: Commit e93c4f8 pushed by mb2055
9m 0s fix_67
fix_67
9m 0s
fix alchemical ion tests .github/workflows/main.yaml #291: Commit a183079 pushed by mb2055
8m 39s feature_alchemical_restraint
feature_alchemical_restraint
8m 39s
Ensure that the restraint width is actually used .github/workflows/main.yaml #290: Commit e48956a pushed by mb2055
8m 17s feature_alchemical_restraint
feature_alchemical_restraint
8m 17s
Reassign velocities at the start of each dynamics block. .github/workflows/main.yaml #289: Commit e51d4d5 pushed by lohedges
8m 11s main
main
8m 11s
Add CLI entry-point for Boresch ghost atom modifications .github/workflows/main.yaml #288: Pull request #66 synchronize by lohedges
15s feature_ghostly
feature_ghostly
15s
Use input file name as base for output by default. .github/workflows/main.yaml #287: Commit 4d9a991 pushed by lohedges
9m 54s feature_ghostly
feature_ghostly
9m 54s
Add CLI entry-point for Boresch ghost atom modifications .github/workflows/main.yaml #286: Pull request #66 opened by lohedges
12s feature_ghostly
feature_ghostly
12s