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disorderedmaterials / dissolve Public

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refactor: Detect molecules#2528

Open

RobBuchananCompPhys wants to merge 8 commits into

develop2disorderedmaterials/dissolve:develop2from

dissolve2/refactor-detect-moleculesdisorderedmaterials/dissolve:dissolve2/refactor-detect-moleculesCopy head branch name to clipboard

Conversation Commits8 (8)Checks Files changed

Open

refactor: Detect molecules#2528
RobBuchananCompPhys wants to merge 8 commits into
develop2from
dissolve2/refactor-detect-molecules

Commits

Commits on Jun 25, 2026

refactor detect molecules process
RobBuchananCompPhys
committed
clean up detect mols node
RobBuchananCompPhys
committed

Commits on Jun 26, 2026

dynamic outputs 1
RobBuchananCompPhys
committed
start incorporating dynamic outputs to detect mols and get supercell config
RobBuchananCompPhys
committed
insert node can work on instances, supercell cif test cases - part 1
RobBuchananCompPhys
committed
nacl mols passes with supercell test
RobBuchananCompPhys
committed
good progress on cif tests and supercell box checking in most neccesary cases
RobBuchananCompPhys
committed
refactor dynamic outputs
RobBuchananCompPhys
committed

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