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Filter pairs to remove ghost atoms. Release Devel #159: Commit 9934335 pushed by lohedges
23m 12s devel
devel
23m 12s
Merge pull request #518 from OpenBioSim/feature_ring_break_softcore Release Devel #158: Commit 769a957 pushed by lohedges
37m 46s devel
devel
37m 46s
Add ring-breaking/making info during merge and add support for adding ions to an existing system Pull-Request #390: Pull request #518 opened by lohedges
39m 39s feature_ring_break_softcore
feature_ring_break_softcore
39m 39s
Skip pyarrow test on Windows. Release Devel #157: Commit d7d3fc8 pushed by lohedges
39m 35s devel
devel
39m 35s
Remove cross-bond terms for ring-making/breaking perturbations Pull-Request #389: Pull request #517 opened by lohedges
38m 58s fix_ring_break_merge
fix_ring_break_merge
38m 58s
Merge pull request #516 from OpenBioSim/feature_somd2_preparefep Release Devel #155: Commit 24a9144 pushed by lohedges
37m 5s devel
devel
37m 5s
Switch to simplified patchIntrascale wrapper function. Release Devel #154: Commit 28a1c27 pushed by lohedges
24m 16s devel
devel
24m 16s
Add workaround for Windows ROI merge performance issue. Release Devel #153: Commit d074644 pushed by lohedges
37m 54s devel
devel
37m 54s
Add missing test guards. Release Devel #152: Commit 945cc85 pushed by lohedges
1h 29m 39s devel
devel
1h 29m 39s
Merge pull request #514 from OpenBioSim/fix_ring_break_merge Release Devel #151: Commit 3b50ecc pushed by lohedges
49m 13s devel
devel
49m 13s
Merge pull request #513 from OpenBioSim/fix_intrascale_merge Release Devel #150: Commit 38ed3b3 pushed by lohedges
37m 2s devel
devel
37m 2s
Add regression test for ring-breaking intrascale fix Pull-Request #387: Pull request #513 opened by lohedges
37m 20s fix_intrascale_merge
fix_intrascale_merge
37m 20s
Restrict to energy trajectory parquet files. Release Devel #149: Commit 74f60d4 pushed by lohedges
22m 57s devel
devel
22m 57s
Add backwards compatible normalisation function. Release Devel #148: Commit 0908b42 pushed by lohedges
28m 10s devel
devel
28m 10s
Merge pull request #510 from OpenBioSim/fix_lambda_grad_format Release Devel #147: Commit 0130f10 pushed by lohedges
35m 37s devel
devel
35m 37s
Handle normalised lambda and lambda_grad metadata entries Pull-Request #386: Pull request #510 synchronize by lohedges
35m 49s fix_lambda_grad_format
fix_lambda_grad_format
35m 49s
Merge pull request #508 from OpenBioSim/feature_perturbable_cmap Release Devel #146: Commit f6c9979 pushed by lohedges
36m 36s devel
devel
36m 36s
Add support for merging CMAP terms Pull-Request #383: Pull request #508 opened by lohedges
36m 23s feature_perturbable_cmap
feature_perturbable_cmap
36m 23s
Merge pull request #506 from OpenBioSim/fix_glycam Release Devel #145: Commit 5db39f1 pushed by lohedges
36m 14s devel
devel
36m 14s
Fix GLYCAM force field merging Pull-Request #382: Pull request #506 opened by lohedges
35m 32s fix_glycam
fix_glycam
35m 32s
Merge pull request #502 from OpenBioSim/fix_ring_break_detection Release Devel #144: Commit 0a04a75 pushed by lohedges
19m 43s devel
devel
19m 43s
Fix ring break detection Pull-Request #381: Pull request #502 synchronize by lohedges
24m 1s fix_ring_break_detection
fix_ring_break_detection
24m 1s
Fix ring break detection Pull-Request #380: Pull request #502 synchronize by lohedges
5m 24s fix_ring_break_detection
fix_ring_break_detection
5m 24s
Fix ring break detection Pull-Request #379: Pull request #502 synchronize by lohedges
23m 53s fix_ring_break_detection
fix_ring_break_detection
23m 53s
Fix ring break detection Pull-Request #378: Pull request #502 opened by lohedges
20m 20s fix_ring_break_detection
fix_ring_break_detection
20m 20s