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fix(MultiscalePartitioningEngineView): began work to call the QSE solver every timestep

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one major issue was that QSE solving was only running at each partition. This was creating effectivley infinite sources of partitioned species. Now we partition when engine updates are triggered, however, solveQSEAbundance is called every timestep. This has major performance implications and so has required a lot of optimization to make it even somewhat viable. For now construction is much slower. Time per iteration is still slower than it was before; however, it is tractable. There is also currently too much stiffness in the network. This is likeley a bug that was introduced in this refactoring which will be addressed soon.
This commit is contained in:
Emily Boudreaux
2025-11-12 16:54:12 -05:00
parent 741a11d256
commit 81cca35130
20 changed files with 446 additions and 697 deletions
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32
src/include/gridfire/reaction/reaction.h
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@@ -521,13 +521,31 @@ namespace gridfire::reaction {
* @brief Gets the vector of reactant species.
* @return A const reference to the vector of reactants.
*/
[[nodiscard]] const std::vector<fourdst::atomic::Species>& reactants() const override { return m_reactants; }
[[nodiscard]] const std::vector<fourdst::atomic::Species>& reactants() const override {
if (!m_reactantsVec) {
m_reactantsVec.emplace(std::vector<fourdst::atomic::Species>());
m_reactantsVec->reserve(m_reactants.size());
for (const auto& reactant : m_reactants) {
m_reactantsVec->push_back(reactant);
}
}
return m_reactantsVec.value();
}
/**
* @brief Gets the vector of product species.
* @return A const reference to the vector of products.
*/
[[nodiscard]] const std::vector<fourdst::atomic::Species>& products() const override { return m_products; }
[[nodiscard]] const std::vector<fourdst::atomic::Species>& products() const override {
if (!m_productsVec) {
m_productsVec.emplace(std::vector<fourdst::atomic::Species>());
m_productsVec->reserve(m_products.size());
for (const auto& product : m_products) {
m_productsVec->push_back(product);
}
}
return m_productsVec.value();
}
/**
* @brief Checks if this is a reverse reaction rate.
@@ -575,8 +593,12 @@ namespace gridfire::reaction {
std::string m_peName; ///< Name of the reaction in (projectile, ejectile) notation (e.g. "p(p,g)d").
int m_chapter; ///< Chapter number from the REACLIB database, defining the reaction structure.
double m_qValue = 0.0; ///< Q-value of the reaction in MeV.
std::vector<fourdst::atomic::Species> m_reactants; ///< Reactants of the reaction.
std::vector<fourdst::atomic::Species> m_products; ///< Products of the reaction.
std::set<fourdst::atomic::Species> m_reactants; ///< Reactants of the reaction.
std::set<fourdst::atomic::Species> m_products; ///< Products of the reaction.
mutable std::optional<std::vector<fourdst::atomic::Species>> m_reactantsVec;
mutable std::optional<std::vector<fourdst::atomic::Species>> m_productsVec;
std::string m_sourceLabel; ///< Source label for the rate data (e.g., "wc12w", "st08").
RateCoefficientSet m_rateCoefficients; ///< The seven rate coefficients.
bool m_reverse = false; ///< Flag indicating if this is a reverse reaction rate.
@@ -746,7 +768,6 @@ namespace gridfire::reaction {
rate.a5 * T953 +
rate.a6 * logT9;
sum += CppAD::exp(exponent);
// return sum; // TODO: REMOVE OR COMMENT THIS. ITS FOR TESTING ONLY
}
return sum;
}
@@ -912,6 +933,7 @@ namespace gridfire::reaction {
std::vector<std::unique_ptr<Reaction>> m_reactions;
std::string m_id;
std::unordered_map<std::string, size_t> m_reactionNameMap; ///< Maps reaction IDs to Reaction objects for quick lookup.
std::unordered_set<size_t> m_reactionHashes;
};