refactor: Detect molecules (Version 2)#2556

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RobBuchananCompPhys wants to merge 9 commits into

dissolve2/detect-molecules-refactor-version-2

Commits on Jul 13, 2026

pr comments
RobBuchananCompPhys
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Commits on Jul 14, 2026

streamline a bit - don't make StructureAtom * vectors from indices, just call structure.atom(i)..
RobBuchananCompPhys
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streamline a bit - don't make StructureAtom * vectors from indices, just call structure.atom(i).. (part 2)
RobBuchananCompPhys
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Commits on Jul 15, 2026

use an erase/remove_if idiom
RobBuchananCompPhys
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