I'm working on Python bindings of my C++ library (a mathematical optimization solver) and I'm stuck at a point where I create a Python callback evaluate_constraints() that takes C++ arguments, pass it to the C++ library and evaluate it with C++ arguments. The callback modifies its second parameter constraints based on its first parameter x. // C++ code #include "Vector.hpp" #include <pybind11/pybind11.h> namespace py = pybind11; void solve(const std::function<void(const Vector&, Vector&)>& evaluate_constraints) { const Vector x = ...; Vector constraints = ...; evaluate_constraints(x, constraints); } PYBIND11_MODULE(unopy, module) { py::class_<Vector>(module, "Vector") .def(py::init<size_t>(), "Constructor") .def("__getitem__", [](const Vector& vector, size_t index) { return vector[index]; }) .def("__setitem__", [](Vector& vector, size_t index, double value) { vector[index] = value; }); module.def("solve", &solve); } # Python code import myCppModule def evaluate_constraints(x, constraints): constraints[0] = function of x constraints[1] = function of x ... myCppModule.solve(evaluate_constraints) Unfortunately, some copy must happen somewhere, because the C++ object constraints is not modified. I'm not sure whether I missed something totally obvious (I've stumbled upon suggestions to use py::return_value_policy::reference_internal, but to no avail) or whether it is indeed a bit tricky to address. Hope you can crack it! Note: the second parameter is a Vector here, but for other callbacks, it could be a C++ matrix type. Continue reading...