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Summary
Refines smooth-truncation handling in equilibrium/derivative paths so reported thermodynamic quantities and sensitivities are consistent with post-processed
njvalues, especially for entropy and pressure derivatives.Changes
source/equilibrium.f90(includingnj_linear, entropy residual/state terms, and threshold handling per-species including ions).nj/ln_nj) and kept condensed-species entropy handling explicit.EqDerivatives_assemble_J.ln_nj-based expressions in smooth post-processing paths.Testing
Not run (prepared PR description from branch diff only; no local test execution in this pass).
Expanded tests in
source/equilibrium_test.pf:H2Owhere appropriate,dS/dPfinite-difference agreement.Compatibility / Numerical behavior
Expected changes are localized to smooth-truncation/post-processing behavior (entropy and related derivatives near truncation thresholds). Validation is covered by updated/added finite-difference tests in
source/equilibrium_test.pf.