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feat(GridFire): Much more robust starting network

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GraphEngine now can initialize with a much more robust set of reactions (including the entire reaction set). The jacobian can still be efficiently evaluated using CppAD's sparse jacobian feature. Further, the primeing network has been signifiganty enhanced to handle much hotter termperatures
This commit is contained in:
Emily Boudreaux
2025-07-14 14:50:49 -04:00
parent ddfa66d86f
commit 69bd2cd466
21 changed files with 650 additions and 131 deletions
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5
src/network/include/gridfire/engine/views/engine_adaptive.h
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@@ -9,6 +9,9 @@
#include "fourdst/config/config.h"
#include "fourdst/logging/logging.h"
#include "gridfire/engine/procedures/priming.h"
#include "gridfire/engine/procedures/construction.h"
#include "quill/Logger.h"
namespace gridfire {
@@ -260,6 +263,8 @@ namespace gridfire {
[[nodiscard]] int getSpeciesIndex(const fourdst::atomic::Species &species) const override;
[[nodiscard]] std::vector<double> mapNetInToMolarAbundanceVector(const NetIn &netIn) const override;
[[nodiscard]] PrimingReport primeEngine(const NetIn &netIn) override;
private:
using Config = fourdst::config::Config;
using LogManager = fourdst::logging::LogManager;

2
src/network/include/gridfire/engine/views/engine_defined.h
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@@ -161,6 +161,8 @@ namespace gridfire{
[[nodiscard]] int getSpeciesIndex(const fourdst::atomic::Species &species) const override;
[[nodiscard]] std::vector<double> mapNetInToMolarAbundanceVector(const NetIn &netIn) const override;
[[nodiscard]] PrimingReport primeEngine(const NetIn &netIn) override;
protected:
bool m_isStale = true;
DynamicEngine& m_baseEngine;

18
src/network/include/gridfire/engine/views/engine_multiscale.h
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@@ -83,18 +83,20 @@ namespace gridfire {
[[nodiscard]] std::vector<double> mapNetInToMolarAbundanceVector(const NetIn &netIn) const override;
std::vector<fourdst::atomic::Species> getFastSpecies() const;
const std::vector<fourdst::atomic::Species>& getDynamicSpecies() const;
[[nodiscard]] PrimingReport primeEngine(const NetIn &netIn) override;
void equilibrateNetwork(
const std::vector<double>& Y,
[[nodiscard]] std::vector<fourdst::atomic::Species> getFastSpecies() const;
[[nodiscard]] const std::vector<fourdst::atomic::Species>& getDynamicSpecies() const;
fourdst::composition::Composition equilibrateNetwork(
const std::vector<double> &Y,
double T9,
double rho,
double dt_control
);
void equilibrateNetwork(
const NetIn& netIn,
fourdst::composition::Composition equilibrateNetwork(
const NetIn &netIn,
const double dt_control
);
@@ -137,8 +139,8 @@ namespace gridfire {
m_rho(rho),
m_Y_scale(Y_scale) {}
int values() const { return m_qse_solve_indices.size(); }
int inputs() const { return m_qse_solve_indices.size(); }
[[nodiscard]] int values() const { return m_qse_solve_indices.size(); }
[[nodiscard]] int inputs() const { return m_qse_solve_indices.size(); }
int operator()(const InputType& v_qse, OutputType& f_qse) const;
int df(const InputType& v_qse, JacobianType& J_qse) const;

3
src/network/include/gridfire/engine/views/engine_priming.h
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@@ -20,13 +20,10 @@ namespace gridfire {
public:
NetworkPrimingEngineView(const std::string& primingSymbol, DynamicEngine& baseEngine);
NetworkPrimingEngineView(const fourdst::atomic::Species& primingSpecies, DynamicEngine& baseEngine);
const std::vector<std::string>& getPrimingReactionNames() const { return m_peNames; }
const fourdst::atomic::Species& getPrimingSpecies() const { return m_primingSpecies; }
private:
quill::Logger* m_logger = fourdst::logging::LogManager::getInstance().getLogger("log");
std::vector<std::string> m_peNames; ///< Names of the priming reactions.
fourdst::atomic::Species m_primingSpecies; ///< The priming species, if specified.
private:
std::vector<std::string> constructPrimingReactionSet(