From 3362c84d146ac976a61d045126dcd0976094ec76 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Wed, 24 Feb 2021 10:30:44 -0500
Subject: [PATCH] Restructure the rhoi derivatives
---
include/teqp/derivs.hpp | 10 +++++-----
1 file changed, 5 insertions(+), 5 deletions(-)
diff --git a/include/teqp/derivs.hpp b/include/teqp/derivs.hpp
index 21ba720..d2c55ea 100644
--- a/include/teqp/derivs.hpp
+++ b/include/teqp/derivs.hpp
@@ -15,17 +15,17 @@ derivT(const FuncType& f, TType T, const ContainerType& rho) {
return f(std::complex<TType>(T, h), rho).imag() / h;
}
-/// Given a function, use complex step derivatives to calculate the derivative with respect to the first composition variable
+/// Given a function, use complex step derivatives to calculate the derivative with respect to the given composition variable
template <typename TType, typename ContainerType, typename FuncType, typename Integer>
typename std::enable_if<is_container<ContainerType>::value, typename ContainerType::value_type>::type
-derivrhoi(const FuncType& f, TType T, const ContainerType& rho, Integer j) {
+derivrhoi(const FuncType& f, TType T, const ContainerType& rho, Integer i) {
double h = 1e-100;
using comtype = std::complex<ContainerType::value_type>;
std::valarray<comtype> rhocom(rho.size());
- for (auto i = 0; i < rho.size(); ++i) {
- rhocom[i] = comtype(rho[i], 0.0);
+ for (auto j = 0; j < rho.size(); ++j) {
+ rhocom[j] = comtype(rho[j], 0.0);
}
- rhocom[j] = comtype(rho[j], h);
+ rhocom[i] = comtype(rho[i], h);
return f(T, rhocom).imag() / h;
}
--
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