fix(GraphNetwork): working on loads of small bugs
Fized stoichiometry matrix initialization, added penames to reablib reactions, began work on LogicalReaction to sum the contributions of different fitting functions provided by reaclib
This commit is contained in:
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src/network/lib/approx8.cpp
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538
src/network/lib/approx8.cpp
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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 21, 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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// License version 3 (GPLv3) as published by the Free Software Foundation.
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//
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// 4DSSE is distributed in the hope that it will be useful,
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// but WITHOUT ANY WARRANTY; without even the implied warranty of
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// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
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// See the GNU Library General Public License for more details.
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//
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// You should have received a copy of the GNU Library General Public License
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// along with this software; if not, write to the Free Software
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// Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
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//
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// *********************************************************************** */
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#include <cmath>
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#include <stdexcept>
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#include <array>
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#include <boost/numeric/odeint.hpp>
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#include "fourdst/constants/const.h"
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#include "fourdst/config/config.h"
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#include "quill/LogMacros.h"
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#include "gridfire/approx8.h"
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#include "gridfire/network.h"
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/* Nuclear reaction network in cgs units based on Frank Timmes' "approx8".
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At this time it does neither screening nor neutrino losses. It includes
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the following 8 isotopes:
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h1
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he3
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he4
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c12
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n14
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o16
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ne20
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mg24
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and the following nuclear reactions:
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---pp chain---
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p(p,e+)d
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d(p,g)he3
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he3(he3,2p)he4
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---CNO cycle---
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c12(p,g)n13 - n13 -> c13 + p -> n14
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n14(p,g)o15 - o15 + p -> c12 + he4
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n14(a,g)f18 - proceeds to ne20
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n15(p,a)c12 - / these two n15 reactions are \ CNO I
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n15(p,g)o16 - \ used to calculate a fraction / CNO II
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o16(p,g)f17 - f17 + e -> o17 and then o17 + p -> n14 + he4
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---alpha captures---
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c12(a,g)o16
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triple alpha
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o16(a,g)ne20
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ne20(a,g)mg24
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c12(c12,a)ne20
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c12(o16,a)mg24
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At present the rates are all evaluated using a fitting function.
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The coefficients to the fit are from reaclib.jinaweb.org .
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*/
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namespace gridfire::approx8{
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// using namespace std;
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using namespace boost::numeric::odeint;
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//helper functions
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// a function to multiply two arrays and then sum the resulting elements: sum(a*b)
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double sum_product( const vec7 &a, const vec7 &b){
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double sum=0;
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for (size_t i=0; i < a.size(); i++) {
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sum += a[i] * b[i];
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}
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return sum;
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}
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// the fit to the nuclear reaction rates is of the form:
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// exp( a0 + a1/T9 + a2/T9^(1/3) + a3*T9^(1/3) + a4*T9 + a5*T9^(5/3) + log(T9) )
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// this function returns an array of the T9 terms in that order, where T9 is the temperatures in GigaKelvin
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vec7 get_T9_array(const double &T) {
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vec7 arr;
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const double T9=1e-9*T;
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const double T913=pow(T9,1./3.);
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arr[0]=1;
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arr[1]=1/T9;
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arr[2]=1/T913;
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arr[3]=T913;
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arr[4]=T9;
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arr[5]=pow(T9,5./3.);
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arr[6]=log(T9);
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return arr;
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}
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// this function uses the two preceding functions to evaluate the rate given the T9 array and the coefficients
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double rate_fit(const vec7 &T9, const vec7 &coef){
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return exp(sum_product(T9,coef));
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}
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// p + p -> d; this, like some of the other rates, this is a composite of multiple fits
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double pp_rate(const vec7 &T9) {
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constexpr vec7 a1 = {-34.78630, 0,-3.511930, 3.100860, -0.1983140, 1.262510e-2, -1.025170};
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constexpr vec7 a2 = { -4.364990e+1,-2.460640e-3,-2.750700,-4.248770e-1,1.598700e-2,-6.908750e-4,-2.076250e-1};
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return rate_fit(T9,a1) + rate_fit(T9,a2);
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}
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// p + d -> he3
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double dp_rate(const vec7 &T9) {
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constexpr vec7 a1 = {7.528980, 0, -3.720800, 0.8717820, 0, 0,-0.6666670};
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constexpr vec7 a2 = {8.935250, 0, -3.720800, 0.1986540, 0, 0, 0.3333330};
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return rate_fit(T9,a1) + rate_fit(T9,a2);
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}
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// he3 + he3 -> he4 + 2p
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double he3he3_rate(const vec7 &T9){
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constexpr vec7 a = {2.477880e+01,0,-12.27700,-0.1036990,-6.499670e-02,1.681910e-02,-6.666670e-01};
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return rate_fit(T9,a);
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}
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// he3(he3,2p)he4
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double he3he4_rate(const vec7 &T9){
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constexpr vec7 a1 = {1.560990e+01,0.000000e+00,-1.282710e+01,-3.082250e-02,-6.546850e-01,8.963310e-02,-6.666670e-01};
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constexpr vec7 a2 = {1.770750e+01,0.000000e+00,-1.282710e+01,-3.812600e+00,9.422850e-02,-3.010180e-03,1.333330e+00};
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return rate_fit(T9,a1) + rate_fit(T9,a2);
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}
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// he4 + he4 + he4 -> c12
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double triple_alpha_rate(const vec7 &T9){
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constexpr vec7 a1 = {-9.710520e-01,0.000000e+00,-3.706000e+01,2.934930e+01,-1.155070e+02,-1.000000e+01,-1.333330e+00};
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constexpr vec7 a2 = {-1.178840e+01,-1.024460e+00,-2.357000e+01,2.048860e+01,-1.298820e+01,-2.000000e+01,-2.166670e+00};
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constexpr vec7 a3 = {-2.435050e+01,-4.126560e+00,-1.349000e+01,2.142590e+01,-1.347690e+00,8.798160e-02,-1.316530e+01};
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return rate_fit(T9,a1) + rate_fit(T9,a2) + rate_fit(T9,a3);
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}
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// c12 + p -> n13
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double c12p_rate(const vec7 &T9){
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constexpr vec7 a1={1.714820e+01,0.000000e+00,-1.369200e+01,-2.308810e-01,4.443620e+00,-3.158980e+00,-6.666670e-01};
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constexpr vec7 a2={1.754280e+01,-3.778490e+00,-5.107350e+00,-2.241110e+00,1.488830e-01,0.000000e+00,-1.500000e+00};
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return rate_fit(T9,a1) + rate_fit(T9,a2);
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}
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// c12 + he4 -> o16
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double c12a_rate(const vec7 &T9){
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constexpr vec7 a1={6.965260e+01,-1.392540e+00,5.891280e+01,-1.482730e+02,9.083240e+00,-5.410410e-01,7.035540e+01};
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constexpr vec7 a2={2.546340e+02,-1.840970e+00,1.034110e+02,-4.205670e+02,6.408740e+01,-1.246240e+01,1.373030e+02};
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return rate_fit(T9,a1) + rate_fit(T9,a2);
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}
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// n14(p,g)o15 - o15 + p -> c12 + he4
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double n14p_rate(const vec7 &T9){
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constexpr vec7 a1={1.701000e+01,0.000000e+00,-1.519300e+01,-1.619540e-01,-7.521230e+00,-9.875650e-01,-6.666670e-01};
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constexpr vec7 a2={2.011690e+01,0.000000e+00,-1.519300e+01,-4.639750e+00,9.734580e+00,-9.550510e+00,3.333330e-01};
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constexpr vec7 a3={7.654440e+00,-2.998000e+00,0.000000e+00,0.000000e+00,0.000000e+00,0.000000e+00,-1.500000e+00};
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constexpr vec7 a4={6.735780e+00,-4.891000e+00,0.000000e+00,0.000000e+00,0.000000e+00,0.000000e+00,6.820000e-02};
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return rate_fit(T9,a1) + rate_fit(T9,a2) + rate_fit(T9,a3) + rate_fit(T9,a4);
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}
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// n14(a,g)f18 assumed to go on to ne20
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double n14a_rate(const vec7 &T9){
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constexpr vec7 a1={2.153390e+01,0.000000e+00,-3.625040e+01,0.000000e+00,0.000000e+00,-5.000000e+00,-6.666670e-01};
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constexpr vec7 a2={1.968380e-01,-5.160340e+00,0.000000e+00,0.000000e+00,0.000000e+00,0.000000e+00,-1.500000e+00};
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constexpr vec7 a3={1.389950e+01,-1.096560e+01,-5.622700e+00,0.000000e+00,0.000000e+00,0.000000e+00,-1.500000e+00};
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return rate_fit(T9,a1) + rate_fit(T9,a2) + rate_fit(T9,a3);
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}
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// n15(p,a)c12 (CNO I)
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double n15pa_rate(const vec7 &T9){
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constexpr vec7 a1 = {2.747640e+01,0.000000e+00,-1.525300e+01,1.593180e+00,2.447900e+00,-2.197080e+00,-6.666670e-01};
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constexpr vec7 a2 = {-4.873470e+00,-2.021170e+00,0.000000e+00,3.084970e+01,-8.504330e+00,-1.544260e+00,-1.500000e+00};
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constexpr vec7 a3 = {2.089720e+01,-7.406000e+00,0.000000e+00,0.000000e+00,0.000000e+00,0.000000e+00,-1.500000e+00};
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constexpr vec7 a4 = {-6.575220e+00,-1.163800e+00,0.000000e+00,2.271050e+01,-2.907070e+00,2.057540e-01,-1.500000e+00};
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return rate_fit(T9,a1) + rate_fit(T9,a2) + rate_fit(T9,a3) + rate_fit(T9,a4);
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}
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// n15(p,g)o16 (CNO II)
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double n15pg_rate(const vec7 &T9){
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constexpr vec7 a1 = {2.001760e+01,0.000000e+00,-1.524000e+01,3.349260e-01,4.590880e+00,-4.784680e+00,-6.666670e-01};
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constexpr vec7 a2 = {6.590560e+00,-2.923150e+00,0.000000e+00,0.000000e+00,0.000000e+00,0.000000e+00,-1.500000e+00};
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constexpr vec7 a3 = {1.454440e+01,-1.022950e+01,0.000000e+00,0.000000e+00,4.590370e-02,0.000000e+00,-1.500000e+00};
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return rate_fit(T9,a1) + rate_fit(T9,a2) + rate_fit(T9,a3);
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}
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double n15pg_frac(const vec7 &T9){
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const double f1=n15pg_rate(T9);
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const double f2=n15pa_rate(T9);
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return f1/(f1+f2);
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}
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// o16(p,g)f17 then f17 -> o17(p,a)n14
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double o16p_rate(const vec7 &T9){
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constexpr vec7 a={1.909040e+01,0.000000e+00,-1.669600e+01,-1.162520e+00,2.677030e-01,-3.384110e-02,-6.666670e-01};
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return rate_fit(T9,a);
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}
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// o16(a,g)ne20
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double o16a_rate(const vec7 &T9){
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constexpr vec7 a1={2.390300e+01,0.000000e+00,-3.972620e+01,-2.107990e-01,4.428790e-01,-7.977530e-02,-6.666670e-01};
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constexpr vec7 a2={3.885710e+00,-1.035850e+01,0.000000e+00,0.000000e+00,0.000000e+00,0.000000e+00,-1.500000e+00};
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constexpr vec7 a3={9.508480e+00,-1.276430e+01,0.000000e+00,-3.659250e+00,7.142240e-01,-1.075080e-03,-1.500000e+00};
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return rate_fit(T9,a1) + rate_fit(T9,a2) + rate_fit(T9,a3);
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}
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// ne20(a,g)mg24
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double ne20a_rate(const vec7 &T9){
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constexpr vec7 a1={2.450580e+01,0.000000e+00,-4.625250e+01,5.589010e+00,7.618430e+00,-3.683000e+00,-6.666670e-01};
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constexpr vec7 a2={-3.870550e+01,-2.506050e+00,0.000000e+00,0.000000e+00,0.000000e+00,0.000000e+00,-1.500000e+00};
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constexpr vec7 a3={1.983070e+00,-9.220260e+00,0.000000e+00,0.000000e+00,0.000000e+00,0.000000e+00,-1.500000e+00};
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constexpr vec7 a4={-8.798270e+00,-1.278090e+01,0.000000e+00,1.692290e+01,-2.573250e+00,2.089970e-01,-1.500000e+00};
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return rate_fit(T9,a1) + rate_fit(T9,a2) + rate_fit(T9,a3) + rate_fit(T9,a4);
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}
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// c12(c12,a)ne20
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double c12c12_rate(const vec7 &T9){
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constexpr vec7 a={6.128630e+01,0.000000e+00,-8.416500e+01,-1.566270e+00,-7.360840e-02,-7.279700e-02,-6.666670e-01};
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return rate_fit(T9,a);
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}
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// c12(o16,a)mg24
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double c12o16_rate(const vec7 &T9){
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constexpr vec7 a={4.853410e+01,3.720400e-01,-1.334130e+02,5.015720e+01,-3.159870e+00,1.782510e-02,-2.370270e+01};
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return rate_fit(T9,a);
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}
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// for Boost ODE solvers either a struct or a class is required
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// a Jacobian matrix for implicit solvers
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void Jacobian::operator() ( const vector_type &y, matrix_type &J, double /* t */, vector_type &dfdt ) const {
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fourdst::constant::Constants& constants = fourdst::constant::Constants::getInstance();
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const double avo = constants.get("N_a").value;
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const double clight = constants.get("c").value;
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// EOS
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const vec7 T9=get_T9_array(y[Approx8Net::iTemp]);
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// evaluate rates once per call
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const double rpp=pp_rate(T9);
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const double r33=he3he3_rate(T9);
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const double r34=he3he4_rate(T9);
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const double r3a=triple_alpha_rate(T9);
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const double rc12p=c12p_rate(T9);
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const double rc12a=c12a_rate(T9);
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const double rn14p=n14p_rate(T9);
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const double rn14a=n14a_rate(T9);
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const double ro16p=o16p_rate(T9);
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const double ro16a=o16a_rate(T9);
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const double rne20a=ne20a_rate(T9);
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const double r1212=c12c12_rate(T9);
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const double r1216=c12o16_rate(T9);
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const double pFrac=n15pg_frac(T9);
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const double aFrac=1-pFrac;
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const double yh1 = y[Approx8Net::ih1];
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const double yhe3 = y[Approx8Net::ihe3];
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const double yhe4 = y[Approx8Net::ihe4];
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const double yc12 = y[Approx8Net::ic12];
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const double yn14 = y[Approx8Net::in14];
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const double yo16 = y[Approx8Net::io16];
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const double yne20 = y[Approx8Net::ine20];
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// zero all elements to begin
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for (int i=0; i < Approx8Net::nVar; i++) {
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for (int j=0; j < Approx8Net::nVar; j++) {
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J(i,j)=0.0;
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}
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}
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// h1 jacobian elements
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J(Approx8Net::ih1,Approx8Net::ih1) = -3*yh1*rpp - 2*yc12*rc12p -2*yn14*rn14p -2*yo16*ro16p;
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J(Approx8Net::ih1,Approx8Net::ihe3) = 2*yhe3*r33 - yhe4*r34;
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J(Approx8Net::ih1,Approx8Net::ihe4) = -yhe3*r34;
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J(Approx8Net::ih1,Approx8Net::ic12) = -2*yh1*rc12p;
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J(Approx8Net::ih1,Approx8Net::in14) = -2*yh1*rn14p;
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J(Approx8Net::ih1,Approx8Net::io16) = -2*yh1*ro16p;
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// he3 jacobian elements
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J(Approx8Net::ihe3,Approx8Net::ih1) = yh1*rpp;
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J(Approx8Net::ihe3,Approx8Net::ihe3) = -2*yhe3*r33 - yhe4*r34;
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J(Approx8Net::ihe3,Approx8Net::ihe4) = -yhe3*r34;
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// he4 jacobian elements
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J(Approx8Net::ihe4,Approx8Net::ih1) = yn14*aFrac*rn14p + yo16*ro16p;
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J(Approx8Net::ihe4,Approx8Net::ihe3) = yhe3*r33 - yhe4*r34;
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J(Approx8Net::ihe4,Approx8Net::ihe4) = yhe3*r34 - 1.5*yhe4*yhe4*r3a - yc12*rc12a - 1.5*yn14*rn14a - yo16*ro16a - yne20*rne20a;
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J(Approx8Net::ihe4,Approx8Net::ic12) = -yhe4*rc12a + yc12*r1212 + yo16*r1216;
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J(Approx8Net::ihe4,Approx8Net::in14) = yh1*aFrac*rn14p - 1.5*yhe4*rn14a;
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J(Approx8Net::ihe4,Approx8Net::io16) = yh1*ro16p - yhe4*ro16a + yc12*r1216;
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J(Approx8Net::ihe4,Approx8Net::ine20) = -yhe4*rne20a;
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// c12 jacobian elements
|
||||
J(Approx8Net::ic12,Approx8Net::ih1) = -yc12*rc12p + yn14*aFrac*rn14p;
|
||||
J(Approx8Net::ic12,Approx8Net::ihe4) = 0.5*yhe4*yhe4*r3a - yhe4*rc12a;
|
||||
J(Approx8Net::ic12,Approx8Net::ic12) = -yh1*rc12p - yhe4*rc12a - yo16*r1216 - 2*yc12*r1212;
|
||||
J(Approx8Net::ic12,Approx8Net::in14) = yh1*yn14*aFrac*rn14p;
|
||||
J(Approx8Net::ic12,Approx8Net::io16) = -yc12*r1216;
|
||||
|
||||
// n14 jacobian elements
|
||||
J(Approx8Net::in14,Approx8Net::ih1) = yc12*rc12p - yn14*rn14p + yo16*ro16p;
|
||||
J(Approx8Net::in14,Approx8Net::ihe4) = -yn14*rn14a;
|
||||
J(Approx8Net::in14,Approx8Net::ic12) = yh1*rc12p;
|
||||
J(Approx8Net::in14,Approx8Net::in14) = -yh1*rn14p - yhe4*rn14a;
|
||||
J(Approx8Net::in14,Approx8Net::io16) = yo16*ro16p;
|
||||
|
||||
// o16 jacobian elements
|
||||
J(Approx8Net::io16,Approx8Net::ih1) = yn14*pFrac*rn14p - yo16*ro16p;
|
||||
J(Approx8Net::io16,Approx8Net::ihe4) = yc12*rc12a - yo16*ro16a;
|
||||
J(Approx8Net::io16,Approx8Net::ic12) = yhe4*rc12a - yo16*r1216;
|
||||
J(Approx8Net::io16,Approx8Net::in14) = yh1*pFrac*rn14p;
|
||||
J(Approx8Net::io16,Approx8Net::io16) = yh1*ro16p - yc12*r1216 -yhe4*ro16a;
|
||||
|
||||
// ne20 jacobian elements
|
||||
J(Approx8Net::ine20,Approx8Net::ihe4) = yn14*rn14a + yo16*ro16a - yne20*rne20a;
|
||||
J(Approx8Net::ine20,Approx8Net::ic12) = yc12*r1212;
|
||||
J(Approx8Net::ine20,Approx8Net::in14) = yhe4*rn14a;
|
||||
J(Approx8Net::ine20,Approx8Net::io16) = yo16*ro16a;
|
||||
J(Approx8Net::ine20,Approx8Net::ine20) = -yhe4*rne20a;
|
||||
|
||||
// mg24 jacobian elements
|
||||
J(Approx8Net::img24,Approx8Net::ihe4) = yne20*rne20a;
|
||||
J(Approx8Net::img24,Approx8Net::ic12) = yo16*r1216;
|
||||
J(Approx8Net::img24,Approx8Net::io16) = yc12*r1216;
|
||||
J(Approx8Net::img24,Approx8Net::ine20) = yhe4*rne20a;
|
||||
|
||||
// energy accounting
|
||||
for (int j=0; j<Approx8Net::nIso; j++) {
|
||||
for (int i=0; i<Approx8Net::nIso; i++) {
|
||||
J(Approx8Net::iEnergy,j) += J(i,j)*Approx8Net::mIon[i];
|
||||
}
|
||||
J(Approx8Net::iEnergy,j) *= -avo*clight*clight;
|
||||
}
|
||||
}
|
||||
|
||||
void ODE::operator() ( const vector_type &y, vector_type &dydt, double /* t */) const {
|
||||
const fourdst::constant::Constants& constants = fourdst::constant::Constants::getInstance();
|
||||
const double avo = constants.get("N_a").value;
|
||||
const double clight = constants.get("c").value;
|
||||
|
||||
// EOS
|
||||
const double T = y[Approx8Net::iTemp];
|
||||
const double den = y[Approx8Net::iDensity];
|
||||
const vec7 T9=get_T9_array(T);
|
||||
|
||||
// rates
|
||||
const double rpp=den*pp_rate(T9);
|
||||
const double r33=den*he3he3_rate(T9);
|
||||
const double r34=den*he3he4_rate(T9);
|
||||
const double r3a=den*den*triple_alpha_rate(T9);
|
||||
const double rc12p=den*c12p_rate(T9);
|
||||
const double rc12a=den*c12a_rate(T9);
|
||||
const double rn14p=den*n14p_rate(T9);
|
||||
const double rn14a=n14a_rate(T9);
|
||||
const double ro16p=den*o16p_rate(T9);
|
||||
const double ro16a=den*o16a_rate(T9);
|
||||
const double rne20a=den*ne20a_rate(T9);
|
||||
const double r1212=den*c12c12_rate(T9);
|
||||
const double r1216=den*c12o16_rate(T9);
|
||||
|
||||
const double pFrac=n15pg_frac(T9);
|
||||
const double aFrac=1-pFrac;
|
||||
|
||||
const double yh1 = y[Approx8Net:: ih1];
|
||||
const double yhe3 = y[Approx8Net:: ihe3];
|
||||
const double yhe4 = y[Approx8Net:: ihe4];
|
||||
const double yc12 = y[Approx8Net:: ic12];
|
||||
const double yn14 = y[Approx8Net:: in14];
|
||||
const double yo16 = y[Approx8Net:: io16];
|
||||
const double yne20 = y[Approx8Net::ine20];
|
||||
|
||||
dydt[Approx8Net::ih1] = -1.5*yh1*yh1*rpp;
|
||||
dydt[Approx8Net::ih1] += yhe3*yhe3*r33;
|
||||
dydt[Approx8Net::ih1] += -yhe3*yhe4*r34;
|
||||
dydt[Approx8Net::ih1] += -2*yh1*yc12*rc12p;
|
||||
dydt[Approx8Net::ih1] += -2*yh1*yn14*rn14p;
|
||||
dydt[Approx8Net::ih1] += -2*yh1*yo16*ro16p;
|
||||
|
||||
dydt[Approx8Net::ihe3] = 0.5*yh1*yh1*rpp;
|
||||
dydt[Approx8Net::ihe3] += -yhe3*yhe3*r33;
|
||||
dydt[Approx8Net::ihe3] += -yhe3*yhe4*r34;
|
||||
|
||||
dydt[Approx8Net::ihe4] = 0.5*yhe3*yhe3*r33;
|
||||
dydt[Approx8Net::ihe4] += yhe3*yhe4*r34;
|
||||
dydt[Approx8Net::ihe4] += -yhe4*yc12*rc12a;
|
||||
dydt[Approx8Net::ihe4] += yh1*yn14*aFrac*rn14p;
|
||||
dydt[Approx8Net::ihe4] += yh1*yo16*ro16p;
|
||||
dydt[Approx8Net::ihe4] += -0.5*yhe4*yhe4*yhe4*r3a;
|
||||
dydt[Approx8Net::ihe4] += -yhe4*yo16*ro16a;
|
||||
dydt[Approx8Net::ihe4] += 0.5*yc12*yc12*r1212;
|
||||
dydt[Approx8Net::ihe4] += yc12*yo16*r1216;
|
||||
dydt[Approx8Net::ihe4] += -yhe4*yne20*rne20a;
|
||||
|
||||
dydt[Approx8Net::ic12] = (1./6.)*yhe4*yhe4*yhe4*r3a;
|
||||
dydt[Approx8Net::ic12] += -yhe4*yc12*rc12a;
|
||||
dydt[Approx8Net::ic12] += -yh1*yc12*rc12p;
|
||||
dydt[Approx8Net::ic12] += yh1*yn14*aFrac*rn14p;
|
||||
dydt[Approx8Net::ic12] += -yc12*yc12*r1212;
|
||||
dydt[Approx8Net::ic12] += -yc12*yo16*r1216;
|
||||
|
||||
dydt[Approx8Net::in14] = yh1*yc12*rc12p;
|
||||
dydt[Approx8Net::in14] += -yh1*yn14*rn14p;
|
||||
dydt[Approx8Net::in14] += yh1*yo16*ro16p;
|
||||
dydt[Approx8Net::in14] += -yhe4*yn14*rn14a;
|
||||
|
||||
dydt[Approx8Net::io16] = yhe4*yc12*rc12a;
|
||||
dydt[Approx8Net::io16] += yh1*yn14*pFrac*rn14p;
|
||||
dydt[Approx8Net::io16] += -yh1*yo16*ro16p;
|
||||
dydt[Approx8Net::io16] += -yc12*yo16*r1216;
|
||||
dydt[Approx8Net::io16] += -yhe4*yo16*ro16a;
|
||||
|
||||
dydt[Approx8Net::ine20] = 0.5*yc12*yc12*r1212;
|
||||
dydt[Approx8Net::ine20] += yhe4*yn14*rn14a;
|
||||
dydt[Approx8Net::ine20] += yhe4*yo16*ro16a;
|
||||
dydt[Approx8Net::ine20] += -yhe4*yne20*rne20a;
|
||||
|
||||
dydt[Approx8Net::img24] = yc12*yo16*r1216;
|
||||
dydt[Approx8Net::img24] += yhe4*yne20*rne20a;
|
||||
|
||||
dydt[Approx8Net::iTemp] = 0.;
|
||||
dydt[Approx8Net::iDensity] = 0.;
|
||||
|
||||
// energy accounting
|
||||
double eNuc = 0.;
|
||||
for (int i=0; i<Approx8Net::nIso; i++) {
|
||||
eNuc += Approx8Net::mIon[i]*dydt[i];
|
||||
}
|
||||
dydt[Approx8Net::iEnergy] = -eNuc*avo*clight*clight;
|
||||
}
|
||||
|
||||
Approx8Network::Approx8Network() : Network(APPROX8) {}
|
||||
|
||||
NetOut Approx8Network::evaluate(const NetIn &netIn) {
|
||||
m_y = convert_netIn(netIn);
|
||||
m_tMax = netIn.tMax;
|
||||
m_dt0 = netIn.dt0;
|
||||
|
||||
const double stiff_abs_tol = m_config.get<double>("Network:Approx8:Stiff:AbsTol", 1.0e-6);
|
||||
const double stiff_rel_tol = m_config.get<double>("Network:Approx8:Stiff:RelTol", 1.0e-6);
|
||||
const double nonstiff_abs_tol = m_config.get<double>("Network:Approx8:NonStiff:AbsTol", 1.0e-6);
|
||||
const double nonstiff_rel_tol = m_config.get<double>("Network:Approx8:NonStiff:RelTol", 1.0e-6);
|
||||
|
||||
int num_steps = -1;
|
||||
|
||||
if (m_stiff) {
|
||||
LOG_DEBUG(m_logger, "Using stiff solver for Approx8Network");
|
||||
num_steps = integrate_const(
|
||||
make_dense_output<rosenbrock4<double>>(stiff_abs_tol, stiff_rel_tol),
|
||||
std::make_pair(ODE(), Jacobian()),
|
||||
m_y,
|
||||
0.0,
|
||||
m_tMax,
|
||||
m_dt0
|
||||
);
|
||||
|
||||
} else {
|
||||
LOG_DEBUG(m_logger, "Using non stiff solver for Approx8Network");
|
||||
num_steps = integrate_const (
|
||||
make_dense_output<runge_kutta_dopri5<vector_type>>(nonstiff_abs_tol, nonstiff_rel_tol),
|
||||
ODE(),
|
||||
m_y,
|
||||
0.0,
|
||||
m_tMax,
|
||||
m_dt0
|
||||
);
|
||||
}
|
||||
|
||||
double ySum = 0.0;
|
||||
for (int i = 0; i < Approx8Net::nIso; i++) {
|
||||
m_y[i] *= Approx8Net::aIon[i];
|
||||
ySum += m_y[i];
|
||||
}
|
||||
for (int i = 0; i < Approx8Net::nIso; i++) {
|
||||
m_y[i] /= ySum;
|
||||
}
|
||||
|
||||
NetOut netOut;
|
||||
std::vector<double> outComposition;
|
||||
outComposition.reserve(Approx8Net::nVar);
|
||||
|
||||
for (int i = 0; i < Approx8Net::nIso; i++) {
|
||||
outComposition.push_back(m_y[i]);
|
||||
}
|
||||
netOut.energy = m_y[Approx8Net::iEnergy];
|
||||
netOut.num_steps = num_steps;
|
||||
|
||||
const std::vector<std::string> symbols = {"H-1", "He-3", "He-4", "C-12", "N-14", "O-16", "Ne-20", "Mg-24"};
|
||||
netOut.composition = fourdst::composition::Composition(symbols, outComposition);
|
||||
|
||||
return netOut;
|
||||
}
|
||||
|
||||
void Approx8Network::setStiff(bool stiff) {
|
||||
m_stiff = stiff;
|
||||
}
|
||||
|
||||
vector_type Approx8Network::convert_netIn(const NetIn &netIn) {
|
||||
vector_type y(Approx8Net::nVar, 0.0);
|
||||
y[Approx8Net::ih1] = netIn.composition.getMassFraction("H-1");
|
||||
y[Approx8Net::ihe3] = netIn.composition.getMassFraction("He-3");
|
||||
y[Approx8Net::ihe4] = netIn.composition.getMassFraction("He-4");
|
||||
y[Approx8Net::ic12] = netIn.composition.getMassFraction("C-12");
|
||||
y[Approx8Net::in14] = netIn.composition.getMassFraction("N-14");
|
||||
y[Approx8Net::io16] = netIn.composition.getMassFraction("O-16");
|
||||
y[Approx8Net::ine20] = netIn.composition.getMassFraction("Ne-20");
|
||||
y[Approx8Net::img24] = netIn.composition.getMassFraction("Mg-24");
|
||||
y[Approx8Net::iTemp] = netIn.temperature;
|
||||
y[Approx8Net::iDensity] = netIn.density;
|
||||
y[Approx8Net::iEnergy] = netIn.energy;
|
||||
|
||||
double ySum = 0.0;
|
||||
for (int i = 0; i < Approx8Net::nIso; i++) {
|
||||
y[i] /= Approx8Net::aIon[i];
|
||||
ySum += y[i];
|
||||
}
|
||||
for (int i = 0; i < Approx8Net::nIso; i++) {
|
||||
y[i] /= ySum;
|
||||
}
|
||||
|
||||
return y;
|
||||
}
|
||||
};
|
||||
|
||||
|
||||
// main program
|
||||
|
||||
Reference in New Issue
Block a user