feat(pythonInterface/eos): fast forward
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@@ -1,8 +1,8 @@
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/* ***********************************************************************
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//
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// Copyright (C) 2025 -- The 4D-STAR Collaboration
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// File Author: Emily Boudreaux
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// Last Modified: March 17, 2025
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// File Authors: Aaron Dotter, Emily Boudreaux
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// Last Modified: March 20, 2025
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//
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// 4DSSE is free software; you can use it and/or modify
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// it under the terms and restrictions the GNU General Library Public
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@@ -41,56 +41,60 @@
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#include "config.h"
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#include "quill/LogMacros.h"
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namespace serif::constant {
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class Constants;
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}
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using namespace std;
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double** heap_allocate_contiguous_2D_memory(const int rows, const int cols) {
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// interpolating polynomila function definitions
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namespace serif::eos::helmholtz {
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double** heap_allocate_contiguous_2D_memory(const int rows, const int cols) {
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if (rows <= 0 || cols <= 0) {
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throw std::invalid_argument("Rows and columns must be positive integers.");
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throw std::invalid_argument("Rows and columns must be positive integers.");
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}
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auto array = new double*[rows];
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const auto array = new double*[rows];
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array[0] = new double[rows * cols];
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for (int i = 1; i < rows; i++) {
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array[i] = array[0] + i * cols;
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array[i] = array[0] + i * cols;
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}
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return array;
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}
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}
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void heap_deallocate_contiguous_2D_memory(double **array) {
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void heap_deallocate_contiguous_2D_memory(double **array) {
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delete[] array[0];
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delete[] array;
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}
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// interpolating polynomila function definitions
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namespace helmholtz {
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double psi0(double z) { return z*z*z * (z * (-6.0 * z + 15.0) - 10.0) + 1.0; }
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}
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double psi0(const double z) { return z*z*z * (z * (-6.0 * z + 15.0) - 10.0) + 1.0; }
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double dpsi0(double z) { return z*z * ( z * (-30.0 * z + 60.0) - 30.0); }
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double dpsi0(const double z) { return z*z * ( z * (-30.0 * z + 60.0) - 30.0); }
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double ddpsi0(double z) { return z * ( z * (-120.0 * z + 180.0) - 60.0); }
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double ddpsi0(const double z) { return z * ( z * (-120.0 * z + 180.0) - 60.0); }
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double psi1(double z) { return z * ( z*z * ( z * (-3.0*z + 8.0) - 6.0) + 1.0); }
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double psi1(const double z) { return z * ( z*z * ( z * (-3.0*z + 8.0) - 6.0) + 1.0); }
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double dpsi1(double z) { return z*z * ( z * (-15.0*z + 32.0) - 18.0) +1.0; }
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double dpsi1(const double z) { return z*z * ( z * (-15.0*z + 32.0) - 18.0) +1.0; }
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double ddpsi1(double z) { return z * (z * (-60.0*z + 96.0) - 36.0); }
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double ddpsi1(const double z) { return z * (z * (-60.0*z + 96.0) - 36.0); }
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double psi2(double z) { return 0.5 * z*z * ( z* ( z * (-z + 3.0) - 3.0) + 1.0); }
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double psi2(const double z) { return 0.5 * z*z * ( z* ( z * (-z + 3.0) - 3.0) + 1.0); }
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double dpsi2(double z) { return 0.5 * z * ( z * (z * (-5.0*z + 12.0) - 9.0) + 2.0); }
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double dpsi2(const double z) { return 0.5 * z * ( z * (z * (-5.0*z + 12.0) - 9.0) + 2.0); }
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double ddpsi2(double z) { return 0.5*(z*( z * (-20.*z + 36.) - 18.) + 2.); }
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double ddpsi2(const double z) { return 0.5*(z*( z * (-20.*z + 36.) - 18.) + 2.); }
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double xpsi0(double z) { return z * z * (2.0 * z - 3.0) + 1.0; }
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double xpsi0(const double z) { return z * z * (2.0 * z - 3.0) + 1.0; }
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double xdpsi0(double z) { return z * (6.0*z - 6.0); }
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double xdpsi0(const double z) { return z * (6.0*z - 6.0); }
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double xpsi1(double z) { return z * ( z * (z - 2.0) + 1.0); }
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double xpsi1(const double z) { return z * ( z * (z - 2.0) + 1.0); }
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double xdpsi1(double z) { return z * (3.0 * z - 4.0) + 1.0; }
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double xdpsi1(const double z) { return z * (3.0 * z - 4.0) + 1.0; }
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double h3(std::array<double, 36> fi, double w0t, double w1t, double w0mt, double w1mt,
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double w0d, double w1d, double w0md, double w1md) {
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double h3(const std::array<double, 36> &fi, const double w0t, const double w1t, const double w0mt, const double w1mt,
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const double w0d, const double w1d, const double w0md, const double w1md) {
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return fi[0] * w0d * w0t + fi[1] * w0md * w0t
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+ fi[2] * w0d * w0mt + fi[3] * w0md * w0mt
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+ fi[4] * w0d * w1t + fi[5] * w0md * w1t
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@@ -101,9 +105,9 @@ namespace helmholtz {
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+ fi[14] * w1d * w1mt + fi[15] * w1md * w1mt;
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}
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double h5(std::array<double, 36> fi, double w0t, double w1t, double w2t,double w0mt,
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double w1mt, double w2mt, double w0d, double w1d, double w2d,
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double w0md, double w1md, double w2md) {
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double h5(const std::array<double, 36> &fi, const double w0t, const double w1t, const double w2t, const double w0mt,
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const double w1mt, const double w2mt, const double w0d, const double w1d, const double w2d,
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const double w0md, const double w1md, const double w2md) {
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return fi[0] * w0d * w0t + fi[1] * w0md * w0t
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+ fi[2] * w0d * w0mt + fi[3] * w0md * w0mt
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+ fi[4] * w0d * w1t + fi[5] * w0md * w1t
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@@ -125,15 +129,15 @@ namespace helmholtz {
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}
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// this function reads in the HELM table and stores in the above arrays
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std::unique_ptr<HELMTable> read_helm_table(const std::string filename) {
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Config& config = Config::getInstance();
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std::string logFile = config.get<std::string>("EOS:Helm:LogFile", "log");
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Probe::LogManager& logManager = Probe::LogManager::getInstance();
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std::unique_ptr<HELMTable> read_helm_table(const std::string &filename) {
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serif::config::Config& config = serif::config::Config::getInstance();
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auto logFile = config.get<std::string>("EOS:Helm:LogFile", "log");
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serif::probe::LogManager& logManager = serif::probe::LogManager::getInstance();
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quill::Logger* logger = logManager.getLogger(logFile);
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LOG_INFO(logger, "read_helm_table : Reading HELM table from file {}", filename);
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// Make a unique pointer to the HELMTable
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std::unique_ptr<HELMTable> table = std::make_unique<HELMTable>();
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auto table = std::make_unique<serif::eos::helmholtz::HELMTable>();
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string data;
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int i, j;
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@@ -236,13 +240,13 @@ namespace helmholtz {
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ion, radiation, electron-positron and Coulomb interaction
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and returns the calculated quantities in the input
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***/
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EOS get_helm_EOS(EOSInput &q, const HELMTable &table) {
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Config& config = Config::getInstance();
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std::string logFile = config.get<std::string>("EOS:Helm:LogFile", "log");
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Probe::LogManager& logManager = Probe::LogManager::getInstance();
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serif::eos::helmholtz::EOS get_helm_EOS(serif::eos::helmholtz::EOSInput &q, const serif::eos::helmholtz::HELMTable &table) {
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serif::config::Config& config = serif::config::Config::getInstance();
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auto logFile = config.get<std::string>("EOS:Helm:LogFile", "log");
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serif::probe::LogManager& logManager = serif::probe::LogManager::getInstance();
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quill::Logger* logger = logManager.getLogger(logFile);
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Constants& constants = Constants::getInstance();
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serif::constant::Constants& constants = serif::constant::Constants::getInstance();
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const double pi = std::numbers::pi;
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const double amu = constants.get("u").value;
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const double h = constants.get("h").value;
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@@ -252,13 +256,13 @@ namespace helmholtz {
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const double kergavo = kerg*avo;
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const double clight2 = clight * clight;
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const double ssol = 5.6704e-5;
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constexpr double ssol = 5.6704e-5;
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const double asol = 4 * ssol / clight;
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const double asoli3 = asol / 3;
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const double sioncon = (2.0 * pi * amu * kerg)/(h*h);
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const double qe = 4.8032042712e-10;
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const double esqu = qe * qe;
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const double third = 1./3.;
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constexpr double qe = 4.8032042712e-10;
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constexpr double esqu = qe * qe;
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constexpr double third = 1./3.;
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std::array<double, 36> fi;
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double T, rho, s, free, abar, zbar, ytot1, ye, ptot;
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double prad, srad, erad, etot, stot;
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@@ -630,14 +634,14 @@ namespace helmholtz {
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// coulomb
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const double a1 = -0.898004;
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const double b1 = 0.96786;
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const double c1 = 0.220703;
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const double d1 = -0.86097;
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const double e1 = 2.5269;
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const double a2 = 0.29561;
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const double b2 = 1.9885;
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const double c2 = 0.288675;
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constexpr double a1 = -0.898004;
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constexpr double b1 = 0.96786;
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constexpr double c1 = 0.220703;
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constexpr double d1 = -0.86097;
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constexpr double e1 = 2.5269;
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constexpr double a2 = 0.29561;
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constexpr double b2 = 1.9885;
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constexpr double c2 = 0.288675;
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z = 4 * pi * third;
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s = z * xni;
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@@ -825,7 +829,7 @@ namespace helmholtz {
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double csound = clight * sqrt(gamma1/z);
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// package in q:
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EOS eos;
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serif::eos::helmholtz::EOS eos;
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eos.ptot = ptot; eos.etot = etot; eos.stot = stot;
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eos.pgas = pgas; eos.egas = egas; eos.sgas = sgas;
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eos.prad = prad; eos.erad = erad; eos.srad = srad;
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