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feat(Comoposition-Tracking): updated GridFire to use new, molar-abundance based, version of libcomposition (v2.0.6)

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This entailed a major rewrite of the composition handling from each engine and engine view along with the solver and primer. The intent here is to let Compositions be constructed from the same extensive property which the solver tracks internally. This addressed C0 discontinuity issues in the tracked molar abundances of species which were introduced by repeadidly swaping from molar abundance space to mass fraction space and back. This also allowed for a simplification of the primeNetwork method. Specifically the mass borrowing system was dramatically simplified as molar abundances are extensive.
This commit is contained in:
Emily Boudreaux
2025-11-10 10:40:03 -05:00
parent 534a44448b
commit a7a4a30028
57 changed files with 1878 additions and 2823 deletions
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16
src/include/gridfire/solver/strategies/CVODE_solver_strategy.h
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@@ -5,7 +5,7 @@
#include "gridfire/network.h"
#include "gridfire/exceptions/exceptions.h"
#include "fourdst/composition/atomicSpecies.h"
#include "fourdst/atomic/atomicSpecies.h"
#include "fourdst/config/config.h"
@@ -176,7 +176,7 @@ namespace gridfire::solver {
const DynamicEngine& engine; ///< Reference to the engine.
const std::vector<fourdst::atomic::Species>& networkSpecies; ///< Species layout.
const size_t currentConvergenceFailures; ///< Total number of convergence failures
const size_t currentNonlinearIterations; ///< Total number of non linear iterations
const size_t currentNonlinearIterations; ///< Total number of non-linear iterations
/**
* @brief Construct a context snapshot.
@@ -216,12 +216,12 @@ namespace gridfire::solver {
* to CVODE, then the driver loop inspects and rethrows.
*/
struct CVODEUserData {
CVODESolverStrategy* solver_instance; // Pointer back to the class instance
DynamicEngine* engine;
double T9;
double rho;
double energy;
const std::vector<fourdst::atomic::Species>* networkSpecies;
CVODESolverStrategy* solver_instance{}; // Pointer back to the class instance
DynamicEngine* engine{};
double T9{};
double rho{};
double energy{};
const std::vector<fourdst::atomic::Species>* networkSpecies{};
std::unique_ptr<exceptions::StaleEngineTrigger> captured_exception = nullptr;
};