From c635b59c5a22f8c3b500964c8d7d67fd50ed4297 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Thu, 21 Oct 2021 15:00:25 -0400
Subject: [PATCH] Add fugacity_coefficient to interface
---
interface/pybind11_wrapper.hpp | 1 +
1 file changed, 1 insertion(+)
diff --git a/interface/pybind11_wrapper.hpp b/interface/pybind11_wrapper.hpp
index fc32062..dff601d 100644
--- a/interface/pybind11_wrapper.hpp
+++ b/interface/pybind11_wrapper.hpp
@@ -33,6 +33,7 @@ void add_derivatives(py::module &m, Wrapper &cls) {
m.def("build_d2PsirdTdrhoi_autodiff", &id::build_d2PsirdTdrhoi_autodiff, py::arg("model"), py::arg("T"), py::arg("rho"));
m.def("get_chempotVLE_autodiff", &id::get_chempotVLE_autodiff, py::arg("model"), py::arg("T"), py::arg("rho"));
m.def("get_dchempotdT_autodiff", &id::get_dchempotdT_autodiff, py::arg("model"), py::arg("T"), py::arg("rho"));
+ m.def("get_fugacity_coefficients", &id::template get_fugacity_coefficients<ADBackends::autodiff>, py::arg("model"), py::arg("T"), py::arg("rho"));
using vd = VirialDerivatives<Model, double, Eigen::Array<double,Eigen::Dynamic,1>>;
m.def("get_B2vir", &vd::get_B2vir, py::arg("model"), py::arg("T"), py::arg("molefrac").noconvert());
--
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