refactor: Update ForceKernel and add water forces unit tests#2336
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trisyoungs merged 23 commits intodevelop2from Mar 18, 2026
Merged
refactor: Update ForceKernel and add water forces unit tests#2336trisyoungs merged 23 commits intodevelop2from
trisyoungs merged 23 commits intodevelop2from
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rprospero
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Mar 13, 2026
…eak all the old tests.
…fferences and use absolute over percentage when necessary.
…ial range is achieved.
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Follows #2326 - Do not merge until #2326 is resolved.
As the title suggests this PR reimplements the forces unit tests for the water system. Found and fixed a bug with three-point interpolation which caused inconsistencies between analytic and production forces at the very limit of the pair potential range (new unit tests added to cover this).
PairPotentialis also updated to adjust thedelta_parameter so that it exactly covers the requested pair potential range.Note: The MDModule unit test will fail as the test forces need updating as a result of the above mentioned changes. This will be fixed in a follow-up PR.