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Fix issue #171 Pull-Request #86: Pull request #172 opened by lohedges
7m 53s fix_171
fix_171
7m 53s
Fix issue #168 Pull-Request #85: Pull request #169 opened by lohedges
8m 41s fix_168
fix_168
8m 41s
Add support for autogenerating ABFE restraints Pull-Request #84: Pull request #166 opened by lohedges
8m 57s feature_abfe_restraints
feature_abfe_restraints
8m 57s
Release 2026.1.0 Pull-Request #83: Pull request #164 opened by lohedges
8m 51s release_2026.1.0
release_2026.1.0
8m 51s
Apply setAmberWater unconditionally to ensure fully rigid water constraints Pull-Request #82: Pull request #163 opened by lohedges
7m 56s fix_water_topology
fix_water_topology
7m 56s
Add option to control epsilon scaling for Beutler soft-core Pull-Request #81: Pull request #160 opened by lohedges
7m 45s fix_alchemical_epsilon
fix_alchemical_epsilon
7m 45s
Add support for terminal flip MC during ring-break perturbations Pull-Request #80: Pull request #159 opened by lohedges
8m 6s feature_ring_break_terminal_flip
feature_ring_break_terminal_flip
8m 6s
Switch to reversible three-stage ring-breaking schedule Pull-Request #79: Pull request #158 opened by lohedges
8m 46s fix_ring_break_schedule
fix_ring_break_schedule
8m 46s
Fix issue #156 Pull-Request #78: Pull request #157 opened by lohedges
8m 46s fix_156
fix_156
8m 46s
Fix issue #154 Pull-Request #77: Pull request #155 opened by lohedges
11m 36s fix_154
fix_154
11m 36s
Fix issue #152 Pull-Request #76: Pull request #153 opened by lohedges
7m 42s fix_152
fix_152
7m 42s
Add support for GCMC in osmotic ensemble Pull-Request #75: Pull request #151 opened by lohedges
7m 48s feature_osmotic_gcmc
feature_osmotic_gcmc
7m 48s
Fix make_compatible dropping unique non-ghost terms for ring-breaking systems Pull-Request #74: Pull request #150 synchronize by lohedges
7m 44s fix_somd1_compatibility
fix_somd1_compatibility
7m 44s
Fix make_compatible dropping unique non-ghost terms for ring-breaking systems Pull-Request #73: Pull request #150 opened by lohedges
7m 59s fix_somd1_compatibility
fix_somd1_compatibility
7m 59s
Symmetrise ring-break schedule Pull-Request #72: Pull request #149 synchronize by lohedges
7m 32s feature_symmetrise_ring_break
feature_symmetrise_ring_break
7m 32s
Symmetrise ring-break schedule Pull-Request #71: Pull request #149 synchronize by lohedges
7m 32s feature_symmetrise_ring_break
feature_symmetrise_ring_break
7m 32s
Symmetrise ring-break schedule Pull-Request #70: Pull request #149 opened by lohedges
7m 49s feature_symmetrise_ring_break
feature_symmetrise_ring_break
7m 49s
Add ring-break/make softcore force Pull-Request #69: Pull request #148 opened by lohedges
7m 49s feature_ring_break_softcore
feature_ring_break_softcore
7m 49s
Add support for long-range dispersion correction, Beutler soft-core, and LambdaSchedule.reverse() Pull-Request #68: Pull request #147 synchronize by lohedges
7m 44s feature_lrc
feature_lrc
7m 44s
Add support for long-range dispersion correction, Beutler soft-core, and LambdaSchedule.reverse() Pull-Request #67: Pull request #147 opened by lohedges
8m 0s feature_lrc
feature_lrc
8m 0s
Fix pertfile intrascale Pull-Request #66: Pull request #146 opened by lohedges
7m 49s fix_pertfile_intrascale
fix_pertfile_intrascale
7m 49s
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
Feature energy components Pull-Request #64: Pull request #143 opened by lohedges
7m 36s feature_energy_components
feature_energy_components
7m 36s
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