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XpongeCPP v0.2.10

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@yuhaosimba yuhaosimba released this 10 Sep 08:30
· 0 commits to codex/xpongecpp-v1 since this release

Fix SPONGE bundle exports to group linked molecules in contiguous atom order, matching raw export. Preserve source atom mappings and remap CVs, typed virtual atoms, distance constraints, positional reference coordinates and SITS selections. Native and Python bundle entry points reject remaining noncontiguous components. Based on v0.2.9; local built-wheel validation: 130 API/bundle tests passed with no OOM kills. PyPI wheels are published by the release workflow.