refactor: Test species as TOML#2424
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trisyoungs merged 14 commits intodevelop2from May 6, 2026
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…an explicit tag when referencing a common term.
…te loops and unhappy machines.
…sing using the non-DL_POLY water (site definitions were incorrect).
…Geometry() function.
trisyoungs
requested review from
RobBuchananCompPhys and
rprospero
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rprospero
RobBuchananCompPhys
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May 5, 2026
Base automatically changed from
dissolve2/tidy-up-species-intra-serialisation
to
develop2
May 6, 2026 10:18
…ing vectors of species to add to configurations.
RobBuchananCompPhys
approved these changes
May 6, 2026
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Follows #2422
This PR removes the code-based generation of test species in
speciesData.hand replaces it with loading of TOML species now thatAtomTypeandCommonTermdata is local to theSpeciesclass.