diff --git a/src/main.cpp b/src/main.cpp index 4c4e50c9413ba3ea65da5b4112b4abddb36a4e44..445c9309323f92c2a145925b8b2ddb5d5adb09c4 100644 --- a/src/main.cpp +++ b/src/main.cpp @@ -60,7 +60,15 @@ void test_vdwMix() { auto Psir = vdW.Psir(T, rhovec); auto dPsirdrho0 = rhovec[0] * deriv2([&vdW, rhotot](const auto& T, const auto& rhovec) { return vdW.Psir(T, rhovec); }, T, rhovec); auto dPsirdrho1 = rhovec[1] * deriv3([&vdW, rhotot](const auto& T, const auto& rhovec) { return vdW.Psir(T, rhovec); }, T, rhovec); - auto pfromderiv = rho * R * T - Psir + dPsirdrho0 + dPsirdrho1; + auto pfromderiv = rho*R*T - Psir + dPsirdrho0 + dPsirdrho1; + { + auto term0 = rhovec[0] * deriv2([&vdW, rhotot](const auto& T, const auto& rhovec) { return vdW.alphar(T, rhovec); }, T, rhovec); + auto term1 = rhovec[1] * deriv3([&vdW, rhotot](const auto& T, const auto& rhovec) { return vdW.alphar(T, rhovec); }, T, rhovec); + auto pr = (term0 + term1)*rhotot*R*T; + auto pfromderiv2 = rho*R*T + pr; + auto err2 = pfromderiv / pfromderiv2 - 1; + int err = 0; + } auto t3 = std::chrono::steady_clock::now(); std::cout << std::chrono::duration<double>(t3 - t2).count() << " from isochoric (mix) " << std::endl;