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Add softcore ring-breaking nonbonded force Pull-Request #400: Pull request #442 synchronize by lohedges
57m 30s feature_ring_break_softcore
feature_ring_break_softcore
57m 30s
Add softcore ring-breaking nonbonded force Pull-Request #399: Pull request #442 opened by lohedges
2h 6m 17s feature_ring_break_softcore
feature_ring_break_softcore
2h 6m 17s
Add support for using a switching function with QM/MM Pull-Request #397: Pull request #441 opened by lohedges
2h 5m 22s feature_switching_function
feature_switching_function
2h 5m 22s
Add long-range dispersion correction, Beutler soft-core, and LambdaSchedule.reverse() Pull-Request #396: Pull request #440 synchronize by lohedges
2h 17m 47s feature_lrc
feature_lrc
2h 17m 47s
Add long-range dispersion correction, Beutler soft-core, and LambdaSchedule.reverse() Pull-Request #395: Pull request #440 opened by lohedges
1h 35m 34s feature_lrc
feature_lrc
1h 35m 34s
Add support for weighting lambda schedule stages Pull-Request #394: Pull request #439 synchronize by lohedges
2h 25m 30s feature_stage_weights
feature_stage_weights
2h 25m 30s
Add support for weighting lambda schedule stages Pull-Request #393: Pull request #439 opened by lohedges
2h 14m 17s feature_stage_weights
feature_stage_weights
2h 14m 17s
Fix issue #437 Pull-Request #392: Pull request #436 opened by lohedges
27s fix_515
fix_515
27s
Feature repulsive morse Pull-Request #391: Pull request #435 opened by akalpokas
2h 22m 13s akalpokas:feature_repulsive_morse
akalpokas:feature_repulsive_morse
2h 22m 13s
Fix out-of-bounds molidx searches silently returning the last molecule Pull-Request #389: Pull request #432 opened by lohedges
2h 8m 28s fix_286
fix_286
2h 8m 28s
Fix issue #350 Pull-Request #387: Pull request #425 opened by lohedges
2h 26m 52s fix_350
fix_350
2h 26m 52s
Feature vsites Pull-Request #386: Pull request #424 synchronize by tom-potter-cresset
2h 27m 32s feature_vsites
feature_vsites
2h 27m 32s
Feature force groups Pull-Request #384: Pull request #422 opened by lohedges
2h 18m 9s feature_force_groups
feature_force_groups
2h 18m 9s
Fix issue #419 Pull-Request #383: Pull request #420 opened by lohedges
2h 18m 13s fix_419
fix_419
2h 18m 13s
sire.legacy.IO.setCoordinates now takes System by value to avoid mutating the input Pull-Request #382: Pull request #417 opened by lohedges
2h 15m 21s fix_set_coordinates
fix_set_coordinates
2h 15m 21s
Feature DMR Pull-Request #381: Pull request #416 synchronize by akalpokas
2h 21m 7s akalpokas:feature_DMR
akalpokas:feature_DMR
2h 21m 7s
Fix duplicate registration of metatypes Pull-Request #379: Pull request #414 opened by lohedges
2h 19m 3s fix_duplicate_registers
fix_duplicate_registers
2h 19m 3s
Add support for 4- and 5-point water models with OpenMM Pull-Request #378: Pull request #412 synchronize by lohedges
2h 16m 50s feature_openmm_vsite_water
feature_openmm_vsite_water
2h 16m 50s
Add support for 4- and 5-point water models with OpenMM Pull-Request #377: Pull request #412 synchronize by lohedges
2h 24m 12s feature_openmm_vsite_water
feature_openmm_vsite_water
2h 24m 12s
Add OpenMM CMAP support Pull-Request #374: Pull request #409 opened by lohedges
2h 21m 37s feature_openmm_cmap
feature_openmm_cmap
2h 21m 37s
Fix parsing of GLYCAM topology files Pull-Request #373: Pull request #407 synchronize by lohedges
2h 18m 8s fix_glycam
fix_glycam
2h 18m 8s
Fix parsing of GLYCAM topology files Pull-Request #372: Pull request #407 synchronize by lohedges
2h 22m 35s fix_glycam
fix_glycam
2h 22m 35s
Fix parsing of GLYCAM topology files Pull-Request #370: Pull request #407 synchronize by lohedges
2h 28m 19s fix_glycam
fix_glycam
2h 28m 19s
Fix parsing of GLYCAM topology files Pull-Request #369: Pull request #407 synchronize by lohedges
2h 19m 34s fix_glycam
fix_glycam
2h 19m 34s
Fix parsing of GLYCAM topology files Pull-Request #368: Pull request #407 opened by lohedges
2h 21m 55s fix_glycam
fix_glycam
2h 21m 55s