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Write XML at earliest opportunity. Release Devel #75: Commit 1c9d773 pushed by lohedges
8m 19s devel
devel
8m 19s
Pass context when computing post-equilibration GCMC water count. Release Devel #74: Commit 1baa28b pushed by lohedges
7m 49s devel
devel
7m 49s
Store GCMC water count prior to any context deletion. Release Devel #72: Commit c781bac pushed by lohedges
54s devel
devel
54s
Re-link properties. Release Devel #71: Commit ad9ae3f pushed by lohedges
8m 17s devel
devel
8m 17s
Fix pertfile intrascale Pull-Request #66: Pull request #146 opened by lohedges
7m 49s fix_pertfile_intrascale
fix_pertfile_intrascale
7m 49s
Fix removal of helper attributes. Release Devel #69: Commit 31495c3 pushed by lohedges
8m 39s devel
devel
8m 39s
Merge pull request #145 from OpenBioSim/fix_gcmc_reset Release Devel #68: Commit 9b176ab pushed by lohedges
8m 7s devel
devel
8m 7s
Ensure GCMC water count is up-to-date before resetting sampler Pull-Request #65: Pull request #145 opened by lohedges
7m 27s fix_gcmc_reset
fix_gcmc_reset
7m 27s
Add regression test to verify HMR mass consistency for forward/revers… Release Devel #67: Commit 05bd793 pushed by lohedges
8m 31s devel
devel
8m 31s
Fix AttributeError on repex restart by deferring terminal flip stats … Release Devel #66: Commit b09fe7f pushed by lohedges
8m 23s devel
devel
8m 23s
Merge pull request #143 from OpenBioSim/feature_energy_components Release Devel #65: Commit 8d142f0 pushed by lohedges
9m 22s devel
devel
9m 22s
Feature energy components Pull-Request #64: Pull request #143 opened by lohedges
7m 36s feature_energy_components
feature_energy_components
7m 36s
Merge pull request #142 from OpenBioSim/feature_force_groups Release Devel #64: Commit 2e47223 pushed by lohedges
8m 2s devel
devel
8m 2s
Feature force groups Pull-Request #63: Pull request #142 synchronize by lohedges
8m 7s feature_force_groups
feature_force_groups
8m 7s
Feature force groups Pull-Request #62: Pull request #142 opened by lohedges
6m 39s feature_force_groups
feature_force_groups
6m 39s
Update dynamics_kwargs to use equilibration_timestep. Release Devel #63: Commit 306102c pushed by lohedges
7m 53s devel
devel
7m 53s
Merge pull request #141 from OpenBioSim/fix_sire_419 Release Devel #62: Commit 29a033d pushed by lohedges
7m 55s devel
devel
7m 55s
Set _pre_run_state attribribute in Sire dynamics Pull-Request #61: Pull request #141 opened by lohedges
8m 48s fix_sire_419
fix_sire_419
8m 48s
Merge pull request #140 from OpenBioSim/fix_perturbed_system Release Devel #61: Commit 5481736 pushed by lohedges
7m 54s devel
devel
7m 54s
Seed perturbed coords from a system clone, not raw arrays Pull-Request #60: Pull request #140 opened by lohedges
7m 19s fix_perturbed_system
fix_perturbed_system
7m 19s
Merge pull request #139 from OpenBioSim/fix_config_comparison Release Devel #60: Commit 5ede7ea pushed by lohedges
7m 56s devel
devel
7m 56s
Fix restraint config comparison Pull-Request #59: Pull request #139 opened by lohedges
7m 56s fix_config_comparison
fix_config_comparison
7m 56s
Merge pull request #138 from OpenBioSim/feature_terminal_flip Release Devel #59: Commit c9dd8f6 pushed by lohedges
8m 26s devel
devel
8m 26s
Add support for Terminal Flip Monte Carlo Pull-Request #58: Pull request #138 opened by lohedges
7m 33s feature_terminal_flip
feature_terminal_flip
7m 33s
Merge pull request #137 from akalpokas/fix_ring_break_morph Release Devel #58: Commit 778300f pushed by lohedges
6m 48s devel
devel
6m 48s