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OpenBioSim
somd2
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Optimise checkpoints
- #257
#257
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OpenBioSim/somd2:feature_optimise_checkpoint
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Oct 20, 2026
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Optimise checkpoints
#257
lohedges
merged 7 commits into
devel
OpenBioSim/somd2:devel
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feature_optimise_checkpoint
OpenBioSim/somd2:feature_optimise_checkpoint
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Commits
Commits on Oct 20, 2026
Free committed repex systems before deleting their frames.
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c125092
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Free the committed system before deleting frames in the regular runner.
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Shorten checkpoint comments.
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Join trajectory chunks with DCD.concatenate instead of reloading the topology.
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Append trajectory chunks in place and time frames from the first interval.
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Use plain arrays rather than numpy matrices for swap counts.
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Update CHANGELOG.
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