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feat(network): added half lifes, spin flip parity, better reaction acritecture

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This commit is contained in:
Emily Boudreaux
2025-06-29 14:53:39 -04:00
parent 2a410dc3fd
commit 29af4c3bab
14 changed files with 2270 additions and 637 deletions
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132
src/network/lib/solver/solver.cpp
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@@ -21,6 +21,16 @@
namespace gridfire::solver {
NetOut QSENetworkSolver::evaluate(const NetIn &netIn) {
// --- Use the policy to decide whether to update the view ---
if (shouldUpdateView(netIn)) {
LOG_DEBUG(m_logger, "Solver update policy triggered, network view updating...");
m_engine.update(netIn);
LOG_DEBUG(m_logger, "Network view updated!");
m_lastSeenConditions = netIn;
m_isViewInitialized = true;
}
m_engine.generateJacobianMatrix(netIn.MolarAbundance(), netIn.temperature / 1e9, netIn.density);
using state_type = boost::numeric::ublas::vector<double>;
using namespace boost::numeric::odeint;
@@ -124,10 +134,19 @@ namespace gridfire::solver {
for (size_t i = 0; i < m_engine.getNetworkSpecies().size(); ++i) {
const auto& species = m_engine.getNetworkSpecies()[i];
const double timescale = speciesTimescale[species];
const double network_timescale = speciesTimescale.at(species);
const double abundance = Y[i];
if (std::isinf(timescale) || abundance < abundanceCutoff || timescale <= timescaleCutoff) {
double decay_timescale = std::numeric_limits<double>::infinity();
const double half_life = species.halfLife();
if (half_life > 0 && !std::isinf(half_life)) {
constexpr double LN2 = 0.69314718056;
decay_timescale = half_life / LN2;
}
const double final_timescale = std::min(network_timescale, decay_timescale);
if (std::isinf(final_timescale) || abundance < abundanceCutoff || final_timescale <= timescaleCutoff) {
QSESpeciesIndices.push_back(i);
} else {
dynamicSpeciesIndices.push_back(i);
@@ -171,59 +190,13 @@ namespace gridfire::solver {
const double rho,
const dynamicQSESpeciesIndices &indices
) const {
std::vector<double> Y_dyn;
Eigen::VectorXd Y_qse_initial(indices.QSESpeciesIndices.size());
for (const auto& i : indices.dynamicSpeciesIndices) { Y_dyn.push_back(Y[i]); }
for (size_t i = 0; i < indices.QSESpeciesIndices.size(); ++i) {
Y_qse_initial(i) = Y[indices.QSESpeciesIndices[i]];
if (Y_qse_initial(i) < 1.0e-99) { Y_qse_initial(i) = 1.0e-99; }
}
Eigen::VectorXd v_qse = Y_qse_initial.array().log();
EigenFunctor<double> qse_problem(m_engine, Y_dyn, indices.dynamicSpeciesIndices, indices.QSESpeciesIndices, T9, rho);
LOG_INFO(m_logger, "--- QSE Pre-Solve Diagnostics ---");
Eigen::VectorXd f_initial(indices.QSESpeciesIndices.size());
qse_problem(v_qse, f_initial);
LOG_INFO(m_logger, "Initial Guess ||f||: {:0.4e}", f_initial.norm());
Eigen::MatrixXd J_initial(indices.QSESpeciesIndices.size(), indices.QSESpeciesIndices.size());
qse_problem.df(v_qse, J_initial);
const Eigen::JacobiSVD<Eigen::MatrixXd> svd(J_initial);
double cond = svd.singularValues().maxCoeff() / svd.singularValues().minCoeff();
LOG_INFO(m_logger, "Initial Jacobian Condition Number: {:0.4e}", cond);
LOG_INFO(m_logger, "Starting QSE solve...");
Eigen::HybridNonLinearSolver<EigenFunctor<double>> solver(qse_problem);
solver.parameters.xtol = 1.0e-8; // Set tolerance
// 5. Run the solver. It will modify v_qse in place.
const int eigenStatus = solver.solve(v_qse);
// 6. Check for convergence and return the result
if(eigenStatus != Eigen::Success) {
LOG_WARNING(m_logger, "--- QSE SOLVER FAILED ---");
LOG_WARNING(m_logger, "Eigen status code: {}", eigenStatus);
LOG_WARNING(m_logger, "Iterations performed: {}", solver.iter);
// Log the final state that caused the failure
Eigen::VectorXd Y_qse_final_fail = v_qse.array().exp();
for(long i=0; i<v_qse.size(); ++i) {
LOG_WARNING(m_logger, "Final v_qse[{}]: {:0.4e} -> Y_qse[{}]: {:0.4e}", i, v_qse(i), i, Y_qse_final_fail(i));
}
// Log the residual at the final state
Eigen::VectorXd f_final(indices.QSESpeciesIndices.size());
qse_problem(v_qse, f_final);
LOG_WARNING(m_logger, "Final ||f||: {:0.4e}", f_final.norm());
throw std::runtime_error("Eigen QSE solver did not converge.");
}
LOG_INFO(m_logger, "Eigen QSE solver converged in {} iterations.", solver.iter);
return v_qse.array().exp();
LOG_TRACE_L1(m_logger, "Calculating steady state abundances for QSE species...");
LOG_WARNING(m_logger, "QSE solver logic not yet implemented, assuming all QSE species have 0 abundance.");
// --- Prepare the QSE species vector ---
Eigen::VectorXd v_qse(indices.QSESpeciesIndices.size());
v_qse.setZero();
return v_qse.array();
}
NetOut QSENetworkSolver::initializeNetworkWithShortIgnition(const NetIn &netIn) const {
@@ -265,6 +238,48 @@ namespace gridfire::solver {
return postIgnition;
}
bool QSENetworkSolver::shouldUpdateView(const NetIn &conditions) const {
// Policy 1: If the view has never been initialized, we must update.
if (!m_isViewInitialized) {
return true;
}
// Policy 2: Check for significant relative change in temperature.
// Reaction rates are exponentially sensitive to temperature, so we use a tight threshold.
const double temp_threshold = m_config.get<double>("gridfire:solver:policy:temp_threshold", 0.05); // 5%
const double temp_relative_change = std::abs(conditions.temperature - m_lastSeenConditions.temperature) / m_lastSeenConditions.temperature;
if (temp_relative_change > temp_threshold) {
LOG_DEBUG(m_logger, "Temperature changed by {:.1f}%, triggering view update.", temp_relative_change * 100);
return true;
}
// Policy 3: Check for significant relative change in density.
const double rho_threshold = m_config.get<double>("gridfire:solver:policy:rho_threshold", 0.10); // 10%
const double rho_relative_change = std::abs(conditions.density - m_lastSeenConditions.density) / m_lastSeenConditions.density;
if (rho_relative_change > rho_threshold) {
LOG_DEBUG(m_logger, "Density changed by {:.1f}%, triggering view update.", rho_relative_change * 100);
return true;
}
// Policy 4: Check for fuel depletion.
// If a primary fuel source changes significantly, the network structure may change.
const double fuel_threshold = m_config.get<double>("gridfire:solver:policy:fuel_threshold", 0.15); // 15%
// Example: Check hydrogen abundance
const double h1_old = m_lastSeenConditions.composition.getMassFraction("H-1");
const double h1_new = conditions.composition.getMassFraction("H-1");
if (h1_old > 1e-12) { // Avoid division by zero
const double h1_relative_change = std::abs(h1_new - h1_old) / h1_old;
if (h1_relative_change > fuel_threshold) {
LOG_DEBUG(m_logger, "H-1 mass fraction changed by {:.1f}%, triggering view update.", h1_relative_change * 100);
return true;
}
}
// If none of the above conditions are met, the current view is still good enough.
return false;
}
void QSENetworkSolver::RHSFunctor::operator()(
const boost::numeric::ublas::vector<double> &YDynamic,
boost::numeric::ublas::vector<double> &dYdtDynamic,
@@ -295,6 +310,7 @@ namespace gridfire::solver {
namespace odeint = boost::numeric::odeint;
using fourdst::composition::Composition;
const double T9 = netIn.temperature / 1e9; // Convert temperature from Kelvin to T9 (T9 = T / 1e9)
const unsigned long numSpecies = m_engine.getNetworkSpecies().size();
@@ -363,7 +379,7 @@ namespace gridfire::solver {
const std::vector<double> y(Y.begin(), m_numSpecies + Y.begin());
auto [dydt, eps] = m_engine.calculateRHSAndEnergy(y, m_T9, m_rho);
dYdt.resize(m_numSpecies + 1);
std::ranges::copy(dydt, dydt.begin());
std::ranges::copy(dydt, dYdt.begin());
dYdt(m_numSpecies) = eps;
}
@@ -373,10 +389,10 @@ namespace gridfire::solver {
double t,
boost::numeric::ublas::vector<double> &dfdt
) const {
J.resize(m_numSpecies + 1, m_numSpecies + 1);
J.resize(m_numSpecies+1, m_numSpecies+1);
J.clear();
for (int i = 0; i < m_numSpecies + 1; ++i) {
for (int j = 0; j < m_numSpecies + 1; ++j) {
for (int i = 0; i < m_numSpecies; ++i) {
for (int j = 0; j < m_numSpecies; ++j) {
J(i, j) = m_engine.getJacobianMatrixEntry(i, j);
}
}