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Improve performance of Interchange.from_smirnoff on polymers examples #2838: Pull request #1122 synchronize by mattwthompson
January 16, 2025 14:44 13m 48s cache-parameter-lookups
cache-parameter-lookups
January 16, 2025 14:44 13m 48s
examples examples #2837: Scheduled
January 16, 2025 07:02 23m 38s main
main
January 16, 2025 07:02 23m 38s
Read GROMACS topology files split into .itp files examples #2836: Pull request #1120 synchronize by mattwthompson
January 15, 2025 20:14 9m 42s read-itp
read-itp
January 15, 2025 20:14 9m 42s
Cache some charge increment calculations examples #2835: Pull request #1126 synchronize by mattwthompson
January 15, 2025 19:33 12m 15s fix-charge-summing
fix-charge-summing
January 15, 2025 19:33 12m 15s
Cache some charge increment calculations examples #2834: Pull request #1126 synchronize by mattwthompson
January 15, 2025 18:30 20m 6s fix-charge-summing
fix-charge-summing
January 15, 2025 18:30 20m 6s
Merge pull request #1115 from openforcefield/use-charge-caching examples #2833: Commit 9460db5 pushed by mattwthompson
January 15, 2025 16:37 1h 9m 12s main
main
January 15, 2025 16:37 1h 9m 12s
More consistently use existing charge caching examples #2832: Pull request #1115 synchronize by mattwthompson
January 15, 2025 14:32 1h 25m 25s use-charge-caching
use-charge-caching
January 15, 2025 14:32 1h 25m 25s
Merge pull request #1118 from openforcefield/more-gromacs-import-tests examples #2831: Commit 6a515c0 pushed by mattwthompson
January 15, 2025 14:09 42m 40s main
main
January 15, 2025 14:09 42m 40s
examples examples #2830: Scheduled
January 15, 2025 07:02 24m 20s main
main
January 15, 2025 07:02 24m 20s
Always use openmm.LangevinMiddleIntegrator examples #2829: Pull request #1137 synchronize by mattwthompson
January 14, 2025 21:42 2h 10m 20s openmm-driver-integrator
openmm-driver-integrator
January 14, 2025 21:42 2h 10m 20s
Improve testing of GROMACS import examples #2828: Pull request #1118 synchronize by mattwthompson
January 14, 2025 20:06 59m 24s more-gromacs-import-tests
more-gromacs-import-tests
January 14, 2025 20:06 59m 24s
Handle OpenMM version parsing in regression tests examples #2827: Pull request #1140 opened by mattwthompson
January 14, 2025 19:53 23m 28s bump-regression-tests
bump-regression-tests
January 14, 2025 19:53 23m 28s
Merge pull request #1138 from openforcefield/pre-commit-ci-update-config examples #2826: Commit e1a99d6 pushed by mattwthompson
January 14, 2025 18:55 22m 51s main
main
January 14, 2025 18:55 22m 51s
examples examples #2825: Scheduled
January 14, 2025 07:02 23m 3s main
main
January 14, 2025 07:02 23m 3s
Add center-of-mass motion remover in OpenMM export examples #2824: Pull request #1133 synchronize by mattwthompson
January 13, 2025 22:10 1h 5m 1s openmm-add-cmmotionremover
openmm-add-cmmotionremover
January 13, 2025 22:10 1h 5m 1s
[pre-commit.ci] pre-commit autoupdate examples #2823: Pull request #1138 synchronize by pre-commit-ci bot
January 13, 2025 20:45 2h 22m 56s pre-commit-ci-update-config
pre-commit-ci-update-config
January 13, 2025 20:45 2h 22m 56s
[pre-commit.ci] pre-commit autoupdate examples #2822: Pull request #1138 opened by pre-commit-ci bot
January 13, 2025 20:45 1h 40m 47s pre-commit-ci-update-config
pre-commit-ci-update-config
January 13, 2025 20:45 1h 40m 47s
Read GROMACS topology files split into .itp files examples #2821: Pull request #1120 synchronize by mattwthompson
January 13, 2025 20:05 26m 9s read-itp
read-itp
January 13, 2025 20:05 26m 9s
Improve testing of GROMACS import examples #2820: Pull request #1118 synchronize by mattwthompson
January 13, 2025 20:00 22m 50s more-gromacs-import-tests
more-gromacs-import-tests
January 13, 2025 20:00 22m 50s
examples examples #2819: Scheduled
January 13, 2025 07:02 22m 19s main
main
January 13, 2025 07:02 22m 19s
examples examples #2818: Scheduled
January 12, 2025 07:02 23m 31s main
main
January 12, 2025 07:02 23m 31s
examples examples #2817: Scheduled
January 11, 2025 07:02 21m 59s main
main
January 11, 2025 07:02 21m 59s
Always use openmm.LangevinMiddleIntegrator examples #2816: Pull request #1137 opened by mattwthompson
January 10, 2025 21:05 22m 44s openmm-driver-integrator
openmm-driver-integrator
January 10, 2025 21:05 22m 44s
Merge pull request #1134 from openforcefield/from-openmm-water-box examples #2815: Commit 271caed pushed by mattwthompson
January 10, 2025 19:33 35m 26s main
main
January 10, 2025 19:33 35m 26s
Merge pull request #1119 from openforcefield/write-itp examples #2814: Commit cd0bb51 pushed by mattwthompson
January 10, 2025 19:27 22m 39s main
main
January 10, 2025 19:27 22m 39s