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disorderedmaterials / dissolve Public

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refactor: Forcefield tidy up#2455

Merged

trisyoungs merged 15 commits into

develop2disorderedmaterials/dissolve:develop2from

dissolve2/forcefield-tidy-updisorderedmaterials/dissolve:dissolve2/forcefield-tidy-upCopy head branch name to clipboard

May 27, 2026

Conversation Commits15 (15)Checks Files changed

Merged

refactor: Forcefield tidy up#2455
trisyoungs merged 15 commits into
develop2from
dissolve2/forcefield-tidy-up

Commits

Commits on May 27, 2026

Remove old AddForcefieldTermsDialog and AddForcefieldDialogModel.
trisyoungs
committed
Specific function for clearing intramolecular terms in Species.
trisyoungs
committed
Simplify atom type searching.
trisyoungs
committed
Remove determinAtomTypes and assignSpeciesAtomCharges flags from forcefield routines.
trisyoungs
committed
Remove old selection checks.
trisyoungs
committed
Remove old atom type assignment enum, now no longer used.
trisyoungs
committed
Remove intramolecular term assignment flags, now unused.
trisyoungs
committed
Remove old function, move another one.

Tristan Youngs
authored and
trisyoungs
committed
Simplify atom type setting.

Tristan Youngs
authored and
trisyoungs
committed
Start thinking about intramolecular term retrieval.
trisyoungs
committed
Finish thinking about intramolecular term retrieval.
trisyoungs
committed
Simplify has/get functions in Species.
trisyoungs
committed
Just use getTerm() calls, copying term information as optional output - gives more flexibility in the long term.
trisyoungs
committed
Remove unnecessary fwd decs.
trisyoungs
committed
Refactor after changes to getTerm() functions.
trisyoungs
committed

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