Guard interfacial water entropy for solute-free systems and fix WaterEntropy reporter usage - #297

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harryswift01 merged 4 commits into

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296-bug-waterentropy-workflow

Mar 4, 2026

Commits on Mar 2, 2026

Fix water entropy crash for pure solvent systems and ensure consistent universe usage
harryswift01
committed
aba9dd3
fix unit tests in relation to PR #297
harryswift01
committed
a0a0932

Commits on Mar 3, 2026

update regression tests to include a test for water
harryswift01
committed
a0b8dcd

Commits on Mar 4, 2026

test(regression): set absolute tolerance to 0.5 kmol
harryswift01
committed
8fd566c