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Add support for clearing and disabling the file cache Pull-Request #175: Pull request #266 opened by lohedges
March 25, 2024 09:51 58m 5s feature_clear_cache
feature_clear_cache
March 25, 2024 09:51 58m 5s
Use Langevin integrator for free-energy simulations Pull-Request #174: Pull request #264 opened by lohedges
March 21, 2024 13:59 53m 2s fix_gmx_integrator
fix_gmx_integrator
March 21, 2024 13:59 53m 2s
Fix issues #258 and #259 Pull-Request #173: Pull request #260 synchronize by lohedges
March 11, 2024 20:32 29m 7s fix_258_259
fix_258_259
March 11, 2024 20:32 29m 7s
Fix issues #258 and #259 Pull-Request #172: Pull request #260 synchronize by lohedges
March 11, 2024 16:54 1h 4m 56s fix_258_259
fix_258_259
March 11, 2024 16:54 1h 4m 56s
Fix issues #258 and #259 Pull-Request #171: Pull request #260 synchronize by lohedges
March 11, 2024 13:49 35m 37s fix_258_259
fix_258_259
March 11, 2024 13:49 35m 37s
Fix issues #258 and #259 Pull-Request #170: Pull request #260 synchronize by lohedges
March 11, 2024 12:59 46m 23s fix_258_259
fix_258_259
March 11, 2024 12:59 46m 23s
Fix issues #258 and #259 Pull-Request #169: Pull request #260 synchronize by lohedges
March 11, 2024 10:03 39m 23s fix_258_259
fix_258_259
March 11, 2024 10:03 39m 23s
Fix issues #258 and #259 Pull-Request #167: Pull request #260 synchronize by lohedges
March 11, 2024 08:58 46m 35s fix_258_259
fix_258_259
March 11, 2024 08:58 46m 35s
Fix issues #258 and #259 Pull-Request #165: Pull request #260 opened by lohedges
March 8, 2024 20:54 47m 57s fix_258_259
fix_258_259
March 8, 2024 20:54 47m 57s
Only convert to end state if this isn't a FreeEnergy protocol. Pull-Request #164: Pull request #257 opened by lohedges
March 8, 2024 12:30 50m 51s fix_256
fix_256
March 8, 2024 12:30 50m 51s
Only write couple molecule when the decoupled mol is not perturbable Pull-Request #163: Pull request #255 opened by xiki-tempula
March 1, 2024 16:49 3m 14s Exscientia:feat_gmx_2024
Exscientia:feat_gmx_2024
March 1, 2024 16:49 3m 14s
Avoid setting all end-state properties when decoupling Pull-Request #162: Pull request #253 synchronize by fjclark
February 27, 2024 10:07 57m 48s fjclark:feature_somd_abfe_properties
fjclark:feature_somd_abfe_properties
February 27, 2024 10:07 57m 48s
Avoid setting all end-state properties when decoupling Pull-Request #161: Pull request #253 opened by fjclark
February 26, 2024 19:30 44m 45s fjclark:feature_somd_abfe_properties
fjclark:feature_somd_abfe_properties
February 26, 2024 19:30 44m 45s
Fix issues #240 and #246 Pull-Request #160: Pull request #247 synchronize by lohedges
February 22, 2024 13:32 39m 51s fix_240_246
fix_240_246
February 22, 2024 13:32 39m 51s
Fix issues #240 and #246 Pull-Request #159: Pull request #247 opened by lohedges
February 22, 2024 10:41 43m 21s fix_240_246
fix_240_246
February 22, 2024 10:41 43m 21s
Fix issues #241, #242, and #243 Pull-Request #158: Pull request #244 opened by lohedges
February 19, 2024 16:13 59m 24s fix_241-243
fix_241-243
February 19, 2024 16:13 59m 24s
Fix issue #236 Pull-Request #157: Pull request #237 synchronize by lohedges
February 7, 2024 09:06 51m 50s fix_236
fix_236
February 7, 2024 09:06 51m 50s
Fix issue #236 Pull-Request #156: Pull request #237 synchronize by lohedges
February 6, 2024 12:29 1h 4m 9s fix_236
fix_236
February 6, 2024 12:29 1h 4m 9s
Fix issue #236 Pull-Request #155: Pull request #237 synchronize by lohedges
February 6, 2024 10:55 51m 38s fix_236
fix_236
February 6, 2024 10:55 51m 38s
Fix issue #236 Pull-Request #154: Pull request #237 synchronize by lohedges
February 6, 2024 09:43 56m 8s fix_236
fix_236
February 6, 2024 09:43 56m 8s
Fix issue #236 Pull-Request #153: Pull request #237 synchronize by lohedges
February 5, 2024 20:02 6m 59s fix_236
fix_236
February 5, 2024 20:02 6m 59s
Fix issue #236 Pull-Request #152: Pull request #237 synchronize by lohedges
February 5, 2024 15:36 1h 6m 18s fix_236
fix_236
February 5, 2024 15:36 1h 6m 18s
Fix issue #236 Pull-Request #151: Pull request #237 opened by lohedges
February 5, 2024 14:11 46m 22s fix_236
fix_236
February 5, 2024 14:11 46m 22s
Update makeCompatibleWith to use the new AtomCoordMatcher Pull-Request #150: Pull request #235 opened by lohedges
January 26, 2024 16:37 54m 29s feature_atomcoordmatcher
feature_atomcoordmatcher
January 26, 2024 16:37 54m 29s
Fix issues 231 and 232 Pull-Request #149: Pull request #233 opened by lohedges
January 23, 2024 15:40 27m 38s fix_232
fix_232
January 23, 2024 15:40 27m 38s