From 7d1447cf53b50ad368e422e6e409f0fa654adbde Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Fri, 27 May 2022 10:03:07 -0400
Subject: [PATCH] Switch to reals for Ar0n
Oddly this fixes the error in derivative, but it should have no impact
---
include/teqp/derivs.hpp | 7 ++++---
1 file changed, 4 insertions(+), 3 deletions(-)
diff --git a/include/teqp/derivs.hpp b/include/teqp/derivs.hpp
index 8ddf11c..b228009 100644
--- a/include/teqp/derivs.hpp
+++ b/include/teqp/derivs.hpp
@@ -207,9 +207,10 @@ struct TDXDerivatives {
static auto get_Ar0n(const Model& model, const Scalar& T, const Scalar& rho, const VectorType& molefrac) {
std::valarray<Scalar> o(Nderiv+1);
if constexpr (be == ADBackends::autodiff) {
- autodiff::HigherOrderDual<Nderiv, double> rhodual = rho;
- auto f = [&model, &T, &molefrac](const auto& rho_) { return eval(model.alphar(T, rho_, molefrac)); };
- auto ders = derivatives(f, wrt(rhodual), at(rhodual));
+ // If a pure derivative, then we can use autodiff::Real for that variable and Scalar for other variable
+ autodiff::Real<Nderiv, Scalar> rho_ = rho;
+ auto f = [&model, &T, &molefrac](const auto& rho__) { return model.alphar(T, rho__, molefrac); };
+ auto ders = derivatives(f, along(1), at(rho_));
for (auto n = 0; n <= Nderiv; ++n) {
o[n] = forceeval(powi(rho, n) * ders[n]);
}
--
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