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- Score 0 (best): not a bridge, not transmuting - Score 1: transmuting but not a bridge - Score 2: bridge but not transmuting - Score 3 (worst): both bridge and transmuting - Ties broken by atom index (preserves old behavior for equal candidates)
* Angles through transmuting physical neighbours are skipped when a better scoring neighbour exists. * The planar triple junction handler not picks the worst-scoring physical atom rather than the first. * Angles involving ring bridge atoms now are now stiffened with a reduced k_kard_ring=75 to avoid strain on the ring geometry.
Fix issue #6 and switch to pixi + rattler build system
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This is the PR for the 2025.2.0 release of
ghostly.