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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
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
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
Fix restraint config comparison Pull-Request #59: Pull request #139 opened by lohedges
7m 56s fix_config_comparison
fix_config_comparison
7m 56s
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
Fix missing restraints lever equation from ring_break_morph schedule Pull-Request #57: Pull request #137 opened by akalpokas
6m 39s akalpokas:fix_ring_break_morph
akalpokas:fix_ring_break_morph
6m 39s
Feature DMR Pull-Request #56: Pull request #136 opened by akalpokas
7m 11s akalpokas:feature_DMR
akalpokas:feature_DMR
7m 11s
Expose Taylor softcore options and pass through to Loch Pull-Request #55: Pull request #135 opened by lohedges
6m 50s feature_taylor
feature_taylor
6m 50s
Expose softcore_form option Pull-Request #54: Pull request #134 opened by lohedges
6m 47s feature_softcore
feature_softcore
6m 47s
Perform GCMC before dynamics so energies correspond to correct state Pull-Request #53: Pull request #133 opened by lohedges
6m 31s fix_gcmc
fix_gcmc
6m 31s
Normalise lambda and lambda_values as :.5f strings Pull-Request #52: Pull request #132 opened by lohedges
7m 2s fix_lambda_grad_format
fix_lambda_grad_format
7m 2s
Wrap GCMC push/pop pairs in try/finally to guard against crashes Pull-Request #51: Pull request #131 opened by lohedges
6m 56s fix_loch_14
fix_loch_14
6m 56s
Fix repex restart state sychronisation Pull-Request #50: Pull request #130 opened by lohedges
6m 48s fix_repex_sync
fix_repex_sync
6m 48s
Add initial ring-breaking lambda schedules Pull-Request #49: Pull request #129 opened by lohedges
6m 43s add_ring_break_schedule
add_ring_break_schedule
6m 43s
Make repex velocity randomisation optional Pull-Request #48: Pull request #128 opened by lohedges
6m 38s fix_velocity_randomisation
fix_velocity_randomisation
6m 38s
Fix GCMC trajectory synchronisation Pull-Request #47: Pull request #127 opened by lohedges
6m 33s fix_gcmc_sync
fix_gcmc_sync
6m 33s
Fix issue #124 Pull-Request #46: Pull request #126 synchronize by lohedges
6m 28s fix_124
fix_124
6m 28s
Fix issue #124 Pull-Request #45: Pull request #126 synchronize by lohedges
6m 44s fix_124
fix_124
6m 44s
Fix issue #124 Pull-Request #44: Pull request #126 synchronize by lohedges
6m 53s fix_124
fix_124
6m 53s
Fix issue #124 Pull-Request #43: Pull request #126 opened by lohedges
6m 54s fix_124
fix_124
6m 54s
Handle missing OpenCL ICD loader during GPU platform detection Pull-Request #42: Pull request #125 opened by lohedges
6m 56s fix_missing_ocl_icd
fix_missing_ocl_icd
6m 56s
Switch to pixi and rattler-build Pull-Request #41: Pull request #123 synchronize by lohedges
6m 48s feature_rattler
feature_rattler
6m 48s
Switch to pixi and rattler-build Pull-Request #40: Pull request #123 synchronize by lohedges
1m 19s feature_rattler
feature_rattler
1m 19s