-
-
277 const T T913 = CppAD::pow(T9, 1.0/3.0);
-
278 const T T953 = CppAD::pow(T9, 5.0/3.0);
-
279 const T logT9 = CppAD::log(T9);
-
-
-
-
-
-
-
-
287 return CppAD::exp(exponent);
-
+
+
+
+
+
+
+
+
92 const std::string_view
id,
+
93 const std::string_view
peName,
+
+
95 const std::vector<fourdst::atomic::Species> &
reactants,
+
96 const std::vector<fourdst::atomic::Species> &
products,
+
+
98 const std::string_view label,
+
+
100 const bool reverse =
false);
+
+
107 [[nodiscard]]
virtual double calculate_rate(
const double T9)
const;
+
+
114 [[nodiscard]]
virtual CppAD::AD<double>
calculate_rate(
const CppAD::AD<double> T9)
const;
+
+
+
+
+
+
+
+
+
+
145 [[nodiscard]]
bool contains(
const fourdst::atomic::Species& species)
const;
+
+
152 [[nodiscard]]
bool contains_reactant(
const fourdst::atomic::Species& species)
const;
+
+
159 [[nodiscard]]
bool contains_product(
const fourdst::atomic::Species& species)
const;
+
+
165 [[nodiscard]] std::unordered_set<fourdst::atomic::Species>
all_species()
const;
+
+
171 [[nodiscard]] std::unordered_set<fourdst::atomic::Species>
reactant_species()
const;
+
+
177 [[nodiscard]] std::unordered_set<fourdst::atomic::Species>
product_species()
const;
+
+
+
+
190 [[nodiscard]]
int stoichiometry(
const fourdst::atomic::Species& species)
const;
+
+
196 [[nodiscard]] std::unordered_map<fourdst::atomic::Species, int>
stoichiometry()
const;
+
+
202 [[nodiscard]] std::string_view
id()
const {
return m_id; }
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
254 [[nodiscard]] uint64_t
hash(uint64_t seed = 0)
const;
+
+
+
+
257 return os <<
"(Reaction:" << r.
m_id <<
")";
+
-
+
+
+
261 quill::Logger*
m_logger = fourdst::logging::LogManager::getInstance().getLogger(
"log");
+
+
+
+
+
+
+
+
+
+
+
280 template <
typename T>
+
+
+
282 const T T913 = CppAD::pow(T9, 1.0/3.0);
+
283 const T T953 = CppAD::pow(T9, 5.0/3.0);
+
284 const T logT9 = CppAD::log(T9);
+
+
+
+
+
+
+
+
292 return CppAD::exp(exponent);
+
-
-
-
-
-
313 explicit ReactionSet(std::vector<Reaction> reactions);
-
-
-
-
-
-
-
-
-
-
-
-
350 [[nodiscard]]
bool contains(
const std::string_view&
id)
const;
-
-
-
-
-
-
-
-
375 [[nodiscard]]
bool contains_species(
const fourdst::atomic::Species& species)
const;
-
-
382 [[nodiscard]]
bool contains_reactant(
const fourdst::atomic::Species& species)
const;
-
-
389 [[nodiscard]]
bool contains_product(
const fourdst::atomic::Species& species)
const;
-
-
-
-
-
-
-
-
-
-
429 [[nodiscard]] uint64_t
hash(uint64_t seed = 0)
const;
-
-
-
-
-
-
-
441 quill::Logger*
m_logger = fourdst::logging::LogManager::getInstance().getLogger(
"log");
-
-
-
-
-
+
-
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
342 [[nodiscard]]
double calculate_rate(
const double T9)
const override;
+
+
349 [[nodiscard]] CppAD::AD<double>
calculate_rate(
const CppAD::AD<double> T9)
const override;
+
+
+
+
+
+
+
+
+
363 os <<
"(LogicalReaction: " << r.
id() <<
", reverse: " << r.
is_reverse() <<
")";
+
+
+
+
+
+
+
+
+
+
380 template <
typename T>
+
+
+
382 T sum =
static_cast<T
>(0.0);
+
383 const T T913 = CppAD::pow(T9, 1.0/3.0);
+
384 const T T953 = CppAD::pow(T9, 5.0/3.0);
+
385 const T logT9 = CppAD::log(T9);
+
+
387 for (
const auto& rate :
m_rates) {
+
388 const T exponent = rate.a0 +
+
+
+
+
+
+
+
395 sum += CppAD::exp(exponent);
+
+
+
+
+
+
+
+
401 template <
typename ReactionT>
+
+
+
+
+
+
+
+
+
+
+
+
+
+
440 [[nodiscard]]
bool contains(
const std::string_view&
id)
const;
+
+
-
-
-
-
-
-
-
-
-
-
-
-
493 [[nodiscard]]
double calculate_rate(
const double T9)
const override;
-
-
500 [[nodiscard]] CppAD::AD<double>
calculate_rate(
const CppAD::AD<double> T9)
const override;
-
-
-
-
-
-
-
-
-
-
-
-
525 template <
typename T>
-
-
-
527 T sum =
static_cast<T
>(0.0);
-
528 const T T913 = CppAD::pow(T9, 1.0/3.0);
-
529 const T T953 = CppAD::pow(T9, 5.0/3.0);
-
530 const T logT9 = CppAD::log(T9);
-
-
532 for (
const auto& rate :
m_rates) {
-
533 const T exponent = rate.a0 +
-
-
-
-
-
-
-
540 sum += CppAD::exp(exponent);
-
-
-
+
+
+
+
+
+
+
+
+
+
+
487 [[nodiscard]]
const ReactionT&
operator[](
size_t index)
const;
+
+
495 [[nodiscard]]
const ReactionT&
operator[](
const std::string_view&
id)
const;
+
+
+
+
+
+
519 [[nodiscard]] uint64_t
hash(uint64_t seed = 0)
const;
+
+
+
+
+
+
+
+
532 os <<
"(ReactionSet: [";
+
+
+
+
+
+
+
+
+
+
+
+
+
-
+
+
+
+
549 quill::Logger*
m_logger = fourdst::logging::LogManager::getInstance().getLogger(
"log");
+
+
+
+
+
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
592 quill::Logger*
m_logger = fourdst::logging::LogManager::getInstance().getLogger(
"log");
-
-
-
-
+
+
+
+
+
+
+
561 template <
typename ReactionT>
+
+
+
563 std::vector<ReactionT> reactions
+
+
+
+
+
+
+
+
+
+
+
-
-
+
+
576 template <
typename ReactionT>
+
+
+
+
579 for (
const auto& reaction_ptr: other.
m_reactions) {
+
+
+
+
+
+
+
+
-
-
Represents a "logical" reaction that aggregates rates from multiple sources.
-
T calculate_rate(const T T9) const
Template implementation for calculating the total reaction rate.
-
-
void add_reaction(const Reaction &reaction)
Adds another Reaction source to this logical reaction.
-
double calculate_rate(const double T9) const override
Calculates the total reaction rate by summing all source rates.
-
-
-
LogicalReaction(const std::vector< Reaction > &reactions)
Constructs a LogicalReaction from a vector of Reaction objects.
-
std::vector< std::string > m_sources
List of source labels.
-
std::vector< RateCoefficientSet > m_rates
List of rate coefficient sets from each source.
-
std::vector< std::string > sources() const
Gets the list of source labels for the aggregated rates.
-
-
size_t size() const
Gets the number of source rates contributing to this logical reaction.
-
const LogicalReaction & operator[](size_t index) const
Accesses a logical reaction by its index.
-
std::vector< LogicalReaction > m_reactions
-
-
size_t size() const
Gets the number of logical reactions in the set.
-
std::unordered_map< std::string, LogicalReaction > m_reactionNameMap
Maps reaction IDs to LogicalReaction objects for quick lookup.
-
-
-
-
LogicalReactionSet()=delete
Deleted default constructor.
-
-
-
Represents a single nuclear reaction from a specific data source.
-
std::string m_sourceLabel
Source label for the rate data (e.g., "wc12w", "st08").
+
+
589 template <
typename ReactionT>
+
+
+
591 if (
this != &other) {
+
+
+
+
+
+
+
+
+
599 template <
typename ReactionT>
+
+
+
606 template <
typename ReactionT>
+
+
+
619 template <
typename ReactionT>
+
+
+
629 template <
typename ReactionT>
+
+
+
639 template <
typename ReactionT>
+
+
+
645 template <
typename ReactionT>
+
+
+
655 template <
typename ReactionT>
+
+
+
+
658 if (r.contains_reactant(species)) {
+
+
+
+
+
+
+
+
665 template <
typename ReactionT>
+
+
+
+
668 if (r.contains_product(species)) {
+
+
+
+
+
+
+
+
675 template <
typename ReactionT>
+
+
+
+
+
679 throw std::out_of_range(
"Index" + std::to_string(index) +
" out of range for ReactionSet of size " + std::to_string(
m_reactions.size()) +
".");
+
+
+
+
+
+
684 template <
typename ReactionT>
+
+
+
+
+
+
+
690 throw std::out_of_range(
"Species " + std::string(
id) +
" does not exist in ReactionSet.");
+
+
+
+
693 template <
typename ReactionT>
+
+
+
701 template <
typename ReactionT>
+
+
+
703 return !(*
this == other);
+
+
+
+
706 template <
typename ReactionT>
+
+
+
+
709 return XXHash64::hash(
nullptr, 0, seed);
+
+
711 std::vector<uint64_t> individualReactionHashes;
+
712 individualReactionHashes.reserve(
m_reactions.size());
+
+
714 individualReactionHashes.push_back(
reaction.hash(seed));
+
+
+
717 std::ranges::sort(individualReactionHashes);
+
+
719 const auto data =
static_cast<const void*
>(individualReactionHashes.data());
+
720 const size_t sizeInBytes = individualReactionHashes.size() *
sizeof(uint64_t);
+
721 return XXHash64::hash(data, sizeInBytes, seed);
+
+
+
+
724 template<
typename ReactionT>
+
+
+
726 std::unordered_set<fourdst::atomic::Species> species;
+
+
728 const auto reactionSpecies =
reaction.all_species();
+
729 species.insert(reactionSpecies.begin(), reactionSpecies.end());
+
+
+
+
+
+
+
+
T calculate_rate(const T T9) const
Template implementation for calculating the total reaction rate.
+
+
friend std::ostream & operator<<(std::ostream &os, const LogicalReaction &r)
+
void add_reaction(const Reaction &reaction)
Adds another Reaction source to this logical reaction.
+
double calculate_rate(const double T9) const override
Calculates the total reaction rate by summing all source rates.
+
+
+
LogicalReaction(const std::vector< Reaction > &reactions)
Constructs a LogicalReaction from a vector of Reaction objects.
+
std::vector< std::string > m_sources
List of source labels.
+
std::vector< RateCoefficientSet > m_rates
List of rate coefficient sets from each source.
+
std::vector< std::string > sources() const
Gets the list of source labels for the aggregated rates.
+
+
size_t size() const
Gets the number of source rates contributing to this logical reaction.
+
Represents a single nuclear reaction from a specific data source.
+
std::string m_sourceLabel
Source label for the rate data (e.g., "wc12w", "st08").
std::unordered_set< fourdst::atomic::Species > product_species() const
Gets a set of all unique product species.
bool contains_product(const fourdst::atomic::Species &species) const
Checks if the reaction involves a given species as a product.
-
std::string_view id() const
Gets the unique identifier of the reaction.
-
bool m_reverse
Flag indicating if this is a reverse reaction rate.
-
const std::vector< fourdst::atomic::Species > & reactants() const
Gets the vector of reactant species.
-
int m_chapter
Chapter number from the REACLIB database, defining the reaction structure.
+
std::string_view id() const
Gets the unique identifier of the reaction.
+
bool m_reverse
Flag indicating if this is a reverse reaction rate.
+
const std::vector< fourdst::atomic::Species > & reactants() const
Gets the vector of reactant species.
+
int m_chapter
Chapter number from the REACLIB database, defining the reaction structure.
size_t num_species() const
Gets the number of unique species involved in the reaction.
-
bool operator!=(const Reaction &other) const
Compares this reaction with another for inequality.
-
std::string_view sourceLabel() const
Gets the source label for the rate data.
-
std::vector< fourdst::atomic::Species > m_products
Products of the reaction.
-
double m_qValue
Q-value of the reaction in MeV.
-
std::string m_id
Unique identifier for the reaction (e.g., "h1+h1=>h2+e+nu").
-
int chapter() const
Gets the REACLIB chapter number.
-
std::string m_peName
Name of the reaction in (projectile, ejectile) notation (e.g. "p(p,g)d").
-
T calculate_rate(const T T9) const
Template implementation for calculating the reaction rate.
-
const std::vector< fourdst::atomic::Species > & products() const
Gets the vector of product species.
-
-
virtual std::string_view peName() const
Gets the reaction name in (projectile, ejectile) notation.
+
friend std::ostream & operator<<(std::ostream &os, const Reaction &r)
+
bool operator!=(const Reaction &other) const
Compares this reaction with another for inequality.
+
std::string_view sourceLabel() const
Gets the source label for the rate data.
+
std::vector< fourdst::atomic::Species > m_products
Products of the reaction.
+
double m_qValue
Q-value of the reaction in MeV.
+
std::string m_id
Unique identifier for the reaction (e.g., "h1+h1=>h2+e+nu").
+
int chapter() const
Gets the REACLIB chapter number.
+
std::string m_peName
Name of the reaction in (projectile, ejectile) notation (e.g. "p(p,g)d").
+
T calculate_rate(const T T9) const
Template implementation for calculating the reaction rate.
+
const std::vector< fourdst::atomic::Species > & products() const
Gets the vector of product species.
+
+
virtual std::string_view peName() const
Gets the reaction name in (projectile, ejectile) notation.
std::unordered_set< fourdst::atomic::Species > all_species() const
Gets a set of all unique species involved in the reaction.
Reaction(const std::string_view id, const std::string_view peName, const int chapter, const std::vector< fourdst::atomic::Species > &reactants, const std::vector< fourdst::atomic::Species > &products, const double qValue, const std::string_view label, const RateCoefficientSet &sets, const bool reverse=false)
Constructs a Reaction object.
std::unordered_set< fourdst::atomic::Species > reactant_species() const
Gets a set of all unique reactant species.
-
const RateCoefficientSet & rateCoefficients() const
Gets the set of rate coefficients.
-
std::vector< fourdst::atomic::Species > m_reactants
Reactants of the reaction.
+
const RateCoefficientSet & rateCoefficients() const
Gets the set of rate coefficients.
+
std::vector< fourdst::atomic::Species > m_reactants
Reactants of the reaction.
double excess_energy() const
Calculates the excess energy from the mass difference of reactants and products.
-
RateCoefficientSet m_rateCoefficients
The seven rate coefficients.
-
bool is_reverse() const
Checks if this is a reverse reaction rate.
+
RateCoefficientSet m_rateCoefficients
The seven rate coefficients.
+
bool is_reverse() const
Checks if this is a reverse reaction rate.
int stoichiometry(const fourdst::atomic::Species &species) const
Calculates the stoichiometric coefficient for a given species.
virtual ~Reaction()=default
Virtual destructor.
bool contains(const fourdst::atomic::Species &species) const
Checks if the reaction involves a given species as a reactant or product.
bool contains_reactant(const fourdst::atomic::Species &species) const
Checks if the reaction involves a given species as a reactant.
-
double qValue() const
Gets the Q-value of the reaction.
-
bool operator==(const Reaction &other) const
Compares this reaction with another for equality based on their IDs.
+
double qValue() const
Gets the Q-value of the reaction.
+
bool operator==(const Reaction &other) const
Compares this reaction with another for equality based on their IDs.
std::unordered_map< fourdst::atomic::Species, int > stoichiometry() const
Gets a map of all species to their stoichiometric coefficients.
virtual double calculate_rate(const double T9) const
Calculates the reaction rate for a given temperature.
uint64_t hash(uint64_t seed=0) const
Computes a hash for the reaction based on its ID.
-
A collection of Reaction objects.
-
virtual void remove_reaction(const Reaction &reaction)
Removes a reaction from the set.
-
-
bool contains_reactant(const fourdst::atomic::Species &species) const
Checks if any reaction in the set contains the given species as a reactant.
-
uint64_t hash(uint64_t seed=0) const
Computes a hash for the entire set.
-
virtual const Reaction & operator[](size_t index) const
Accesses a reaction by its index.
-
-
bool contains_product(const fourdst::atomic::Species &species) const
Checks if any reaction in the set contains the given species as a product.
-
bool operator==(const ReactionSet &other) const
Compares this set with another for equality.
-
bool operator!=(const ReactionSet &other) const
Compares this set with another for inequality.
-
bool contains_species(const fourdst::atomic::Species &species) const
Checks if any reaction in the set involves the given species.
-
virtual ~ReactionSet()=default
Virtual destructor.
-
virtual size_t size() const
Gets the number of reactions in the set.
-
void clear()
Removes all reactions from the set.
-
std::vector< Reaction > m_reactions
-
ReactionSet & operator=(const ReactionSet &other)
Copy assignment operator.
-
-
virtual void add_reaction(Reaction reaction)
Adds a reaction to the set.
-
std::unordered_map< std::string, Reaction > m_reactionNameMap
Maps reaction IDs to Reaction objects for quick lookup.
-
-
bool contains(const std::string_view &id) const
Checks if the set contains a reaction with the given ID.
-
-
ReactionSet(std::vector< Reaction > reactions)
Constructs a ReactionSet from a vector of reactions.
-
-
-
Holds the seven coefficients for the REACLIB rate equation.
-
-
-
friend std::ostream & operator<<(std::ostream &os, const RateCoefficientSet &r)
Overloads the stream insertion operator for easy printing.
-
-
-
-
-
+
+
void clear()
Removes all reactions from the set.
+
bool operator==(const TemplatedReactionSet &other) const
Compares this set with another for equality.
+
const ReactionT & operator[](const std::string_view &id) const
Accesses a reaction by its ID.
+
std::unordered_set< fourdst::atomic::Species > getReactionSetSpecies() const
+
uint64_t hash(uint64_t seed=0) const
Computes a hash for the entire set.
+
void add_reaction(ReactionT reaction)
Adds a reaction to the set.
+
std::unordered_map< std::string, Reaction > m_reactionNameMap
+
bool contains_product(const fourdst::atomic::Species &species) const
Checks if any reaction in the set contains the given species as a product.
+
friend std::ostream & operator<<(std::ostream &os, const TemplatedReactionSet< ReactionT > &r)
+
TemplatedReactionSet(std::vector< ReactionT > reactions)
Constructs a ReactionSet from a vector of reactions.
+
std::vector< Reaction > m_reactions
+
+
const ReactionT & operator[](size_t index) const
Accesses a reaction by its index.
+
size_t size() const
Gets the number of reactions in the set.
+
bool contains(const std::string_view &id) const
Checks if the set contains a reaction with the given ID.
+
+
void remove_reaction(const ReactionT &reaction)
Removes a reaction from the set.
+
bool operator!=(const TemplatedReactionSet &other) const
Compares this set with another for inequality.
+
bool contains(const Reaction &reaction) const
Checks if the set contains the given reaction.
+
+
bool contains_reactant(const fourdst::atomic::Species &species) const
Checks if any reaction in the set contains the given species as a reactant.
+
TemplatedReactionSet< ReactionT > & operator=(const TemplatedReactionSet< ReactionT > &other)
Copy assignment operator.
+
+
+
bool contains_species(const fourdst::atomic::Species &species) const
Checks if any reaction in the set involves the given species.
+
TemplatedReactionSet(const TemplatedReactionSet< ReactionT > &other)
Copy constructor.
+
+
+
TemplatedReactionSet< LogicalReaction > LogicalReactionSet
A set of logical reactions.
+
LogicalReactionSet packReactionSetToLogicalReactionSet(const ReactionSet &reactionSet)
+
TemplatedReactionSet< Reaction > ReactionSet
A set of reactions, typically from a single source like REACLIB.
+
+
Holds the seven coefficients for the REACLIB rate equation.
+
+
+
friend std::ostream & operator<<(std::ostream &os, const RateCoefficientSet &r)
Overloads the stream insertion operator for easy printing.
+
+
+
+
+
diff --git a/docs/html/search/all_0.js b/docs/html/search/all_0.js
index 66ca3bf3..980b4d9f 100644
--- a/docs/html/search/all_0.js
+++ b/docs/html/search/all_0.js
@@ -10,8 +10,8 @@ var searchData=
['a6_7',['a6',['../structgridfire_1_1reaction_1_1_rate_coefficient_set.html#adf8e6ed7f91cb9e15d1469a808b1877a',1,'gridfire::reaction::RateCoefficientSet']]],
['adaptiveengineview_8',['AdaptiveEngineView',['../classgridfire_1_1_adaptive_engine_view.html',1,'gridfire::AdaptiveEngineView'],['../classgridfire_1_1_adaptive_engine_view.html#ad599363cdd457e72e2e2937b0222c455',1,'gridfire::AdaptiveEngineView::AdaptiveEngineView()']]],
['adaptivenetworksolverstrategy_9',['AdaptiveNetworkSolverStrategy',['../namespacegridfire_1_1solver.html#af3b10822ab58b55365577755c1f4faf6',1,'gridfire::solver']]],
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+ ['m_5ft9_45',['m_T9',['../structgridfire_1_1solver_1_1_q_s_e_network_solver_1_1_r_h_s_functor.html#a35026100163c7cc6fdb4c2e4d988b8cb',1,'gridfire::solver::QSENetworkSolver::RHSFunctor::m_T9'],['../structgridfire_1_1solver_1_1_q_s_e_network_solver_1_1_jacobian_functor.html#a85f88639447a9a706008efece82ff289',1,'gridfire::solver::QSENetworkSolver::JacobianFunctor::m_T9'],['../structgridfire_1_1solver_1_1_q_s_e_network_solver_1_1_eigen_functor.html#a6771ae56ddd9058954b42ee92a378309',1,'gridfire::solver::QSENetworkSolver::EigenFunctor::m_T9'],['../structgridfire_1_1solver_1_1_direct_network_solver_1_1_r_h_s_functor.html#a082844f1eae0609e66620575210e8823',1,'gridfire::solver::DirectNetworkSolver::RHSFunctor::m_T9'],['../structgridfire_1_1solver_1_1_direct_network_solver_1_1_jacobian_functor.html#a88f5fc48a555b369f1e2688d6bb67b83',1,'gridfire::solver::DirectNetworkSolver::JacobianFunctor::m_T9']]],
+ ['m_5ftmax_46',['m_tMax',['../classgridfire_1_1approx8_1_1_approx8_network.html#a6fadf388f07c160f1887a3cb72eaa869',1,'gridfire::approx8::Approx8Network']]],
+ ['m_5fy_47',['m_y',['../classgridfire_1_1approx8_1_1_approx8_network.html#abf9f13ff532917ddac4a7d987698836d',1,'gridfire::approx8::Approx8Network']]],
+ ['m_5fy_5fqse_48',['m_Y_QSE',['../structgridfire_1_1solver_1_1_q_s_e_network_solver_1_1_r_h_s_functor.html#a02c23ef20d616bf5a591a274b66cd75a',1,'gridfire::solver::QSENetworkSolver::RHSFunctor']]],
+ ['m_5fyfull_49',['m_YFull',['../structgridfire_1_1solver_1_1_q_s_e_network_solver_1_1_eigen_functor.html#a2dca32a9e0bea5aea2a565f94b99a8de',1,'gridfire::solver::QSENetworkSolver::EigenFunctor']]],
+ ['min_5fabundance_5fthreshold_50',['MIN_ABUNDANCE_THRESHOLD',['../namespacegridfire.html#a96c062f94713921e5d7568ecedcdcb06',1,'gridfire']]],
+ ['min_5fdensity_5fthreshold_51',['MIN_DENSITY_THRESHOLD',['../namespacegridfire.html#ada3c137c014ecd8d06200fea2d1a9f50',1,'gridfire']]],
+ ['min_5fjacobian_5fthreshold_52',['MIN_JACOBIAN_THRESHOLD',['../namespacegridfire.html#ae01b1738df1921db565bcbd68dd6cf64',1,'gridfire']]],
+ ['mion_53',['mIon',['../structgridfire_1_1approx8_1_1_approx8_net.html#a928b7810cb2993d59d40aa73c2faef18',1,'gridfire::approx8::Approx8Net']]]
];
diff --git a/docs/html/search/variables_b.js b/docs/html/search/variables_b.js
index f1cf3af8..8502274a 100644
--- a/docs/html/search/variables_b.js
+++ b/docs/html/search/variables_b.js
@@ -3,7 +3,8 @@ var searchData=
['raw_5freactions_5fdata_0',['raw_reactions_data',['../reactions__data_8h.html#aeb44e2b3b67960dfd83ecd7136c7d38b',1,'reactions_data.h']]],
['raw_5freactions_5fdata_5flen_1',['raw_reactions_data_len',['../reactions__data_8h.html#a32dea82d95667c3df395d58fb469ce2a',1,'reactions_data.h']]],
['reactants_5fstr_2',['reactants_str',['../structgridfire_1_1reaclib_1_1_reaction_record.html#a67afc513db8dbcc43d79733e22ca8d39',1,'gridfire::reaclib::ReactionRecord']]],
- ['reactionptr_3',['reactionPtr',['../structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow.html#afc894db76a799be17be91130ff3ae6d9',1,'gridfire::AdaptiveEngineView::ReactionFlow']]],
- ['reverse_4',['reverse',['../structgridfire_1_1reaclib_1_1_reaction_record.html#aa1fd4f510d7c00d2e4197e9b9caf29fd',1,'gridfire::reaclib::ReactionRecord']]],
- ['rpname_5',['rpName',['../structgridfire_1_1reaclib_1_1_reaction_record.html#a523b7cfb0a6d8ddccd785aef2f425ad1',1,'gridfire::reaclib::ReactionRecord']]]
+ ['reactionpenames_3',['reactionPENames',['../structgridfire_1_1io_1_1_parsed_network_data.html#a5145c672877638e6113abf1f719b246d',1,'gridfire::io::ParsedNetworkData']]],
+ ['reactionptr_4',['reactionPtr',['../structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow.html#a3bb21f20df8115d37108cf3c3be3bc6f',1,'gridfire::AdaptiveEngineView::ReactionFlow']]],
+ ['reverse_5',['reverse',['../structgridfire_1_1reaclib_1_1_reaction_record.html#aa1fd4f510d7c00d2e4197e9b9caf29fd',1,'gridfire::reaclib::ReactionRecord']]],
+ ['rpname_6',['rpName',['../structgridfire_1_1reaclib_1_1_reaction_record.html#a523b7cfb0a6d8ddccd785aef2f425ad1',1,'gridfire::reaclib::ReactionRecord']]]
];
diff --git a/docs/html/solver_8cpp.html b/docs/html/solver_8cpp.html
index 247e36b0..2a623bbe 100644
--- a/docs/html/solver_8cpp.html
+++ b/docs/html/solver_8cpp.html
@@ -107,6 +107,7 @@ $(function(){initNavTree('solver_8cpp.html',''); initResizable(true); });
#include "gridfire/solver/solver.h"
#include "gridfire/engine/engine_graph.h"
#include "gridfire/network.h"
+
#include "gridfire/utils/logging.h"
#include "fourdst/composition/atomicSpecies.h"
#include "fourdst/composition/composition.h"
#include "fourdst/config/config.h"
@@ -117,6 +118,7 @@ $(function(){initNavTree('solver_8cpp.html',''); initResizable(true); });
#include <unordered_map>
#include <string>
#include <stdexcept>
+
#include <iomanip>
#include "quill/LogMacros.h"
Go to the source code of this file.
diff --git a/docs/html/solver_8cpp_source.html b/docs/html/solver_8cpp_source.html
index 9eceda46..9b166733 100644
--- a/docs/html/solver_8cpp_source.html
+++ b/docs/html/solver_8cpp_source.html
@@ -106,439 +106,518 @@ $(function(){initNavTree('solver_8cpp_source.html',''); initResizable(true); });
-
5#include "fourdst/composition/atomicSpecies.h"
-
6#include "fourdst/composition/composition.h"
-
7#include "fourdst/config/config.h"
-
-
-
10#include "unsupported/Eigen/NonLinearOptimization"
-
-
12#include <boost/numeric/odeint.hpp>
+
+
+
7#include "fourdst/composition/atomicSpecies.h"
+
8#include "fourdst/composition/composition.h"
+
9#include "fourdst/config/config.h"
+
+
+
12#include "unsupported/Eigen/NonLinearOptimization"
-
-
15#include <unordered_map>
-
-
-
-
19#include "quill/LogMacros.h"
-
-
-
-
-
-
-
-
26 LOG_DEBUG(
m_logger,
"Solver update policy triggered, network view updating...");
-
-
28 LOG_DEBUG(
m_logger,
"Network view updated!");
-
-
-
-
-
-
34 using state_type = boost::numeric::ublas::vector<double>;
-
35 using namespace boost::numeric::odeint;
-
-
-
-
39 constexpr double abundance_floor = 1.0e-30;
-
40 std::vector<double>Y_sanitized_initial;
-
41 Y_sanitized_initial.reserve(
m_engine.getNetworkSpecies().size());
-
-
43 LOG_DEBUG(
m_logger,
"Sanitizing initial abundances with a floor of {:0.3E}...", abundance_floor);
-
44 for (
const auto& species :
m_engine.getNetworkSpecies()) {
-
45 double molar_abundance = 0.0;
-
-
47 molar_abundance = postIgnition.
composition.getMolarAbundance(std::string(species.name()));
-
-
-
50 if (molar_abundance < abundance_floor) {
-
51 molar_abundance = abundance_floor;
-
-
53 Y_sanitized_initial.push_back(molar_abundance);
-
-
-
56 const double rho = netIn.
density;
-
-
-
59 Eigen::VectorXd Y_QSE;
-
-
-
62 }
catch (
const std::runtime_error& e) {
-
63 LOG_ERROR(
m_logger,
"Failed to calculate steady state abundances. Aborting QSE evaluation.");
-
-
65 throw std::runtime_error(
"Failed to calculate steady state abundances: " + std::string(e.what()));
-
-
-
68 state_type YDynamic_ublas(indices.dynamicSpeciesIndices.size() + 1);
-
69 for (
size_t i = 0; i < indices.dynamicSpeciesIndices.size(); ++i) {
-
70 YDynamic_ublas(i) = Y_sanitized_initial[indices.dynamicSpeciesIndices[i]];
-
-
72 YDynamic_ublas(indices.dynamicSpeciesIndices.size()) = 0.0;
-
-
74 const RHSFunctor rhs_functor(
m_engine, indices.dynamicSpeciesIndices, indices.QSESpeciesIndices, Y_QSE, T9, rho);
-
75 const auto stepper = make_controlled<runge_kutta_dopri5<state_type>>(1.0e-8, 1.0e-8);
+
14#include <boost/numeric/odeint.hpp>
+
+
+
17#include <unordered_map>
+
+
+
+
+
22#include "quill/LogMacros.h"
+
+
+
+
+
+
+
+
29 LOG_DEBUG(
m_logger,
"Solver update policy triggered, network view updating...");
+
+
31 LOG_DEBUG(
m_logger,
"Network view updated!");
+
+
+
+
+
+
37 using state_type = boost::numeric::ublas::vector<double>;
+
38 using namespace boost::numeric::odeint;
+
+
+
+
42 constexpr double abundance_floor = 1.0e-30;
+
43 std::vector<double>Y_sanitized_initial;
+
44 Y_sanitized_initial.reserve(
m_engine.getNetworkSpecies().size());
+
+
46 LOG_DEBUG(
m_logger,
"Sanitizing initial abundances with a floor of {:0.3E}...", abundance_floor);
+
47 for (
const auto& species :
m_engine.getNetworkSpecies()) {
+
48 double molar_abundance = 0.0;
+
+
50 molar_abundance = postIgnition.
composition.getMolarAbundance(std::string(species.name()));
+
+
+
53 if (molar_abundance < abundance_floor) {
+
54 molar_abundance = abundance_floor;
+
+
56 Y_sanitized_initial.push_back(molar_abundance);
+
+
+
59 const double rho = netIn.
density;
+
+
+
62 Eigen::VectorXd Y_QSE;
+
+
+
+
+
67 ss << std::scientific << std::setprecision(5);
+
+
+
+
+
+
+
+
-
77 size_t stepCount = integrate_adaptive(
-
-
-
-
-
-
-
+
+
+
+
80 }
catch (
const std::runtime_error& e) {
+
81 LOG_ERROR(
m_logger,
"Failed to calculate steady state abundances. Aborting QSE evaluation.");
+
+
83 throw std::runtime_error(
"Failed to calculate steady state abundances: " + std::string(e.what()));
+
-
86 std::vector<double> YFinal = Y_sanitized_initial;
-
87 for (
size_t i = 0; i <indices.dynamicSpeciesIndices.size(); ++i) {
-
88 YFinal[indices.dynamicSpeciesIndices[i]] = YDynamic_ublas(i);
+
86 state_type YDynamic_ublas(indices.dynamicSpeciesIndices.size() + 1);
+
87 for (
size_t i = 0; i < indices.dynamicSpeciesIndices.size(); ++i) {
+
88 YDynamic_ublas(i) = Y_sanitized_initial[indices.dynamicSpeciesIndices[i]];
-
90 for (
size_t i = 0; i < indices.QSESpeciesIndices.size(); ++i) {
-
91 YFinal[indices.QSESpeciesIndices[i]] = Y_QSE(i);
-
-
-
94 const double finalSpecificEnergyRate = YDynamic_ublas(indices.dynamicSpeciesIndices.size());
-
-
-
97 std::vector<std::string> speciesNames(
m_engine.getNetworkSpecies().size());
-
98 std::vector<double> finalMassFractions(
m_engine.getNetworkSpecies().size());
-
99 double massFractionSum = 0.0;
-
-
101 for (
size_t i = 0; i < speciesNames.size(); ++i) {
-
102 const auto& species =
m_engine.getNetworkSpecies()[i];
-
103 speciesNames[i] = species.name();
-
104 finalMassFractions[i] = YFinal[i] * species.mass();
-
105 massFractionSum += finalMassFractions[i];
-
-
107 for (
auto& mf : finalMassFractions) {
-
108 mf /= massFractionSum;
-
-
-
111 fourdst::composition::Composition outputComposition(speciesNames, finalMassFractions);
-
-
-
114 netOut.
energy = finalSpecificEnergyRate;
-
-
-
-
+
90 YDynamic_ublas(indices.dynamicSpeciesIndices.size()) = 0.0;
+
+
92 const RHSFunctor rhs_functor(
m_engine, indices.dynamicSpeciesIndices, indices.QSESpeciesIndices, Y_QSE, T9, rho);
+
93 const auto stepper = make_controlled<runge_kutta_dopri5<state_type>>(1.0e-8, 1.0e-8);
+
+
95 size_t stepCount = integrate_adaptive(
+
+
+
+
+
+
+
+
+
104 std::vector<double> YFinal = Y_sanitized_initial;
+
105 for (
size_t i = 0; i <indices.dynamicSpeciesIndices.size(); ++i) {
+
106 YFinal[indices.dynamicSpeciesIndices[i]] = YDynamic_ublas(i);
+
+
108 for (
size_t i = 0; i < indices.QSESpeciesIndices.size(); ++i) {
+
109 YFinal[indices.QSESpeciesIndices[i]] = Y_QSE(i);
+
+
+
112 const double finalSpecificEnergyRate = YDynamic_ublas(indices.dynamicSpeciesIndices.size());
+
+
+
115 std::vector<std::string> speciesNames(
m_engine.getNetworkSpecies().size());
+
116 std::vector<double> finalMassFractions(
m_engine.getNetworkSpecies().size());
+
117 double massFractionSum = 0.0;
-
-
-
120 const std::vector<double>& Y,
-
-
-
-
124 constexpr double timescaleCutoff = 1.0e-5;
-
125 constexpr double abundanceCutoff = 1.0e-15;
-
-
127 LOG_INFO(
m_logger,
"Partitioning species using T9={:0.2f} and ρ={:0.2e}", T9, rho);
-
128 LOG_INFO(
m_logger,
"Timescale Cutoff: {:.1e} s, Abundance Cutoff: {:.1e}", timescaleCutoff, abundanceCutoff);
-
-
130 std::vector<size_t>dynamicSpeciesIndices;
-
131 std::vector<size_t>QSESpeciesIndices;
-
-
133 std::unordered_map<fourdst::atomic::Species, double> speciesTimescale =
m_engine.getSpeciesTimescales(Y, T9, rho);
-
-
135 for (
size_t i = 0; i <
m_engine.getNetworkSpecies().size(); ++i) {
-
136 const auto& species =
m_engine.getNetworkSpecies()[i];
-
137 const double network_timescale = speciesTimescale.at(species);
-
138 const double abundance = Y[i];
-
-
140 double decay_timescale = std::numeric_limits<double>::infinity();
-
141 const double half_life = species.halfLife();
-
142 if (half_life > 0 && !std::isinf(half_life)) {
-
143 constexpr double LN2 = 0.69314718056;
-
144 decay_timescale = half_life / LN2;
-
-
-
147 const double final_timescale = std::min(network_timescale, decay_timescale);
-
-
149 if (std::isinf(final_timescale) || abundance < abundanceCutoff || final_timescale <= timescaleCutoff) {
-
150 QSESpeciesIndices.push_back(i);
-
-
152 dynamicSpeciesIndices.push_back(i);
-
-
-
155 LOG_INFO(
m_logger,
"Partitioning complete. Dynamical species: {}, QSE species: {}.", dynamicSpeciesIndices.size(), QSESpeciesIndices.size());
-
156 LOG_INFO(
m_logger,
"Dynamic species: {}", [dynamicSpeciesIndices](
const DynamicEngine& engine_wrapper) -> std::string {
-
-
-
159 for (
const auto& i : dynamicSpeciesIndices) {
-
-
161 if (count < dynamicSpeciesIndices.size() - 2) {
-
-
163 }
else if (count == dynamicSpeciesIndices.size() - 2) {
-
-
-
-
-
-
-
170 LOG_INFO(
m_logger,
"QSE species: {}", [QSESpeciesIndices](
const DynamicEngine& engine_wrapper) -> std::string {
-
-
-
173 for (
const auto& i : QSESpeciesIndices) {
-
-
175 if (count < QSESpeciesIndices.size() - 2) {
-
-
177 }
else if (count == QSESpeciesIndices.size() - 2) {
-
-
-
-
-
-
-
184 return {dynamicSpeciesIndices, QSESpeciesIndices};
-
+
119 for (
size_t i = 0; i < speciesNames.size(); ++i) {
+
120 const auto& species =
m_engine.getNetworkSpecies()[i];
+
121 speciesNames[i] = species.name();
+
122 finalMassFractions[i] = YFinal[i] * species.mass();
+
123 massFractionSum += finalMassFractions[i];
+
+
125 for (
auto& mf : finalMassFractions) {
+
126 mf /= massFractionSum;
+
+
+
129 fourdst::composition::Composition outputComposition(speciesNames, finalMassFractions);
+
+
+
132 netOut.
energy = finalSpecificEnergyRate;
+
+
+
-
-
-
-
188 const std::vector<double> &Y,
-
-
-
-
-
193 LOG_TRACE_L1(
m_logger,
"Calculating steady state abundances for QSE species...");
-
194 LOG_WARNING(
m_logger,
"QSE solver logic not yet implemented, assuming all QSE species have 0 abundance.");
-
-
-
-
-
199 return v_qse.array();
-
+
+
+
+
138 const std::vector<double>& Y,
+
+
+
+
142 constexpr double timescaleCutoff = 1.0e-5;
+
143 constexpr double abundanceCutoff = 1.0e-15;
+
+
145 LOG_INFO(
m_logger,
"Partitioning species using T9={:0.2f} and ρ={:0.2e}", T9, rho);
+
146 LOG_INFO(
m_logger,
"Timescale Cutoff: {:.1e} s, Abundance Cutoff: {:.1e}", timescaleCutoff, abundanceCutoff);
+
+
148 std::vector<size_t>dynamicSpeciesIndices;
+
149 std::vector<size_t>QSESpeciesIndices;
+
+
151 std::unordered_map<fourdst::atomic::Species, double> speciesTimescale =
m_engine.getSpeciesTimescales(Y, T9, rho);
+
+
153 for (
size_t i = 0; i <
m_engine.getNetworkSpecies().size(); ++i) {
+
154 const auto& species =
m_engine.getNetworkSpecies()[i];
+
155 const double network_timescale = speciesTimescale.at(species);
+
156 const double abundance = Y[i];
+
+
158 double decay_timescale = std::numeric_limits<double>::infinity();
+
159 const double half_life = species.halfLife();
+
160 if (half_life > 0 && !std::isinf(half_life)) {
+
161 constexpr double LN2 = 0.69314718056;
+
162 decay_timescale = half_life / LN2;
+
+
+
165 const double final_timescale = std::min(network_timescale, decay_timescale);
+
+
167 if (std::isinf(final_timescale) || abundance < abundanceCutoff || final_timescale <= timescaleCutoff) {
+
168 QSESpeciesIndices.push_back(i);
+
+
170 dynamicSpeciesIndices.push_back(i);
+
+
+
173 LOG_INFO(
m_logger,
"Partitioning complete. Dynamical species: {}, QSE species: {}.", dynamicSpeciesIndices.size(), QSESpeciesIndices.size());
+
174 LOG_INFO(
m_logger,
"Dynamic species: {}", [dynamicSpeciesIndices](
const DynamicEngine& engine_wrapper) -> std::string {
+
+
+
177 for (
const auto& i : dynamicSpeciesIndices) {
+
+
179 if (count < dynamicSpeciesIndices.size() - 2) {
+
+
181 }
else if (count == dynamicSpeciesIndices.size() - 2) {
+
+
+
+
+
+
+
188 LOG_INFO(
m_logger,
"QSE species: {}", [QSESpeciesIndices](
const DynamicEngine& engine_wrapper) -> std::string {
+
+
+
191 for (
const auto& i : QSESpeciesIndices) {
+
+
193 if (count < QSESpeciesIndices.size() - 2) {
+
+
195 }
else if (count == QSESpeciesIndices.size() - 2) {
+
+
+
+
+
+
+
202 return {dynamicSpeciesIndices, QSESpeciesIndices};
+
-
-
-
-
203 const auto ignitionTemperature =
m_config.get<
double>(
-
204 "gridfire:solver:QSE:ignition:temperature",
-
-
-
207 const auto ignitionDensity =
m_config.get<
double>(
-
208 "gridfire:solver:QSE:ignition:density",
-
-
-
211 const auto ignitionTime =
m_config.get<
double>(
-
212 "gridfire:solver:QSE:ignition:tMax",
-
-
-
215 const auto ignitionStepSize =
m_config.get<
double>(
-
216 "gridfire:solver:QSE:ignition:dt0",
-
-
-
-
-
-
222 "Igniting network with T={:<5.3E}, ρ={:<5.3E}, tMax={:<5.3E}, dt0={:<5.3E}...",
-
-
-
-
-
-
-
229 NetIn preIgnition = netIn;
-
-
231 preIgnition.
density = ignitionDensity;
-
232 preIgnition.
tMax = ignitionTime;
-
233 preIgnition.
dt0 = ignitionStepSize;
-
-
-
-
237 LOG_INFO(
m_logger,
"Network ignition completed in {} steps.", postIgnition.
num_steps);
-
-
-
-
-
-
-
-
-
-
+
+
+
+
206 const std::vector<double> &Y,
+
+
+
+
+
211 LOG_TRACE_L1(
m_logger,
"Calculating steady state abundances for QSE species...");
+
+
+
214 LOG_DEBUG(
m_logger,
"No QSE species to solve for.");
+
215 return Eigen::VectorXd(0);
+
+
+
+
+
+
+
+
+
+
+
+
+
+
229 v_qse_log_initial(i) = std::log(std::max(Y[indices.
QSESpeciesIndices[i]], 1e-99));
+
+
+
232 const static std::unordered_map<Eigen::LevenbergMarquardtSpace::Status, const char*> statusMessages = {
+
233 {Eigen::LevenbergMarquardtSpace::NotStarted,
"Not started"},
+
234 {Eigen::LevenbergMarquardtSpace::Running,
"Running"},
+
235 {Eigen::LevenbergMarquardtSpace::ImproperInputParameters,
"Improper input parameters"},
+
236 {Eigen::LevenbergMarquardtSpace::RelativeReductionTooSmall,
"Relative reduction too small"},
+
237 {Eigen::LevenbergMarquardtSpace::RelativeErrorTooSmall,
"Relative error too small"},
+
238 {Eigen::LevenbergMarquardtSpace::RelativeErrorAndReductionTooSmall,
"Relative error and reduction too small"},
+
239 {Eigen::LevenbergMarquardtSpace::CosinusTooSmall,
"Cosine too small"},
+
240 {Eigen::LevenbergMarquardtSpace::TooManyFunctionEvaluation,
"Too many function evaluations"},
+
241 {Eigen::LevenbergMarquardtSpace::FtolTooSmall,
"Function tolerance too small"},
+
242 {Eigen::LevenbergMarquardtSpace::XtolTooSmall,
"X tolerance too small"},
+
243 {Eigen::LevenbergMarquardtSpace::GtolTooSmall,
"Gradient tolerance too small"},
+
244 {Eigen::LevenbergMarquardtSpace::UserAsked,
"User asked to stop"}
+
-
-
-
249 const double temp_threshold =
m_config.get<
double>(
"gridfire:solver:policy:temp_threshold", 0.05);
-
-
251 if (temp_relative_change > temp_threshold) {
-
252 LOG_DEBUG(
m_logger,
"Temperature changed by {:.1f}%, triggering view update.", temp_relative_change * 100);
-
-
-
-
-
257 const double rho_threshold =
m_config.get<
double>(
"gridfire:solver:policy:rho_threshold", 0.10);
-
-
259 if (rho_relative_change > rho_threshold) {
-
260 LOG_DEBUG(
m_logger,
"Density changed by {:.1f}%, triggering view update.", rho_relative_change * 100);
-
-
-
-
-
-
266 const double fuel_threshold =
m_config.get<
double>(
"gridfire:solver:policy:fuel_threshold", 0.15);
-
-
-
-
270 const double h1_new = conditions.
composition.getMassFraction(
"H-1");
-
271 if (h1_old > 1e-12) {
-
272 const double h1_relative_change = std::abs(h1_new - h1_old) / h1_old;
-
273 if (h1_relative_change > fuel_threshold) {
-
274 LOG_DEBUG(
m_logger,
"H-1 mass fraction changed by {:.1f}%, triggering view update.", h1_relative_change * 100);
-
-
-
-
-
-
-
+
247 Eigen::LevenbergMarquardt lm(functor);
+
248 const Eigen::LevenbergMarquardtSpace::Status info = lm.minimize(v_qse_log_initial);
+
+
250 if (info <= 0 || info >= 4) {
+
251 LOG_ERROR(
m_logger,
"QSE species minimization failed with status: {} ({})",
+
252 static_cast<int>(info), statusMessages.at(info));
+
253 throw std::runtime_error(
+
254 "QSE species minimization failed with status: " + std::to_string(
static_cast<int>(info)) +
+
255 " (" + std::string(statusMessages.at(info)) +
")"
+
+
+
258 LOG_DEBUG(
m_logger,
"QSE species minimization completed successfully with status: {} ({})",
+
259 static_cast<int>(info), statusMessages.at(info));
+
260 return v_qse_log_initial.array().exp();
+
+
-
-
-
-
284 const boost::numeric::ublas::vector<double> &YDynamic,
-
285 boost::numeric::ublas::vector<double> &dYdtDynamic,
-
-
-
-
289 std::vector<double> YFull(
m_engine.getNetworkSpecies().size());
-
-
-
-
-
-
-
-
-
-
299 auto [full_dYdt, specificEnergyRate] =
m_engine.calculateRHSAndEnergy(YFull,
m_T9,
m_rho);
-
-
-
-
-
-
+
+
+
+
265 const auto ignitionTemperature =
m_config.get<
double>(
+
266 "gridfire:solver:QSE:ignition:temperature",
+
+
+
269 const auto ignitionDensity =
m_config.get<
double>(
+
270 "gridfire:solver:QSE:ignition:density",
+
+
+
273 const auto ignitionTime =
m_config.get<
double>(
+
274 "gridfire:solver:QSE:ignition:tMax",
+
+
+
277 const auto ignitionStepSize =
m_config.get<
double>(
+
278 "gridfire:solver:QSE:ignition:dt0",
+
+
+
+
+
+
284 "Igniting network with T={:<5.3E}, ρ={:<5.3E}, tMax={:<5.3E}, dt0={:<5.3E}...",
+
+
+
+
+
+
+
291 NetIn preIgnition = netIn;
+
+
293 preIgnition.
density = ignitionDensity;
+
294 preIgnition.
tMax = ignitionTime;
+
295 preIgnition.
dt0 = ignitionStepSize;
+
+
297 const auto prevScreeningModel =
m_engine.getScreeningModel();
+
298 LOG_DEBUG(
m_logger,
"Setting screening model to BARE for high temperature and density ignition.");
+
+
+
+
302 LOG_INFO(
m_logger,
"Network ignition completed in {} steps.", postIgnition.
num_steps);
+
303 m_engine.setScreeningModel(prevScreeningModel);
+
304 LOG_DEBUG(
m_logger,
"Restoring previous screening model: {}",
static_cast<int>(prevScreeningModel));
+
-
-
309 namespace ublas = boost::numeric::ublas;
-
310 namespace odeint = boost::numeric::odeint;
-
311 using fourdst::composition::Composition;
-
+
+
+
+
+
-
-
315 const unsigned long numSpecies =
m_engine.getNetworkSpecies().size();
-
-
317 const auto absTol =
m_config.get<
double>(
"gridfire:solver:DirectNetworkSolver:absTol", 1.0e-8);
-
318 const auto relTol =
m_config.get<
double>(
"gridfire:solver:DirectNetworkSolver:relTol", 1.0e-8);
-
-
320 size_t stepCount = 0;
-
-
-
-
-
325 ublas::vector<double> Y(numSpecies + 1);
-
-
327 for (
size_t i = 0; i < numSpecies; ++i) {
-
328 const auto& species =
m_engine.getNetworkSpecies()[i];
-
-
330 Y(i) = netIn.
composition.getMolarAbundance(std::string(species.name()));
-
331 }
catch (
const std::runtime_error) {
-
332 LOG_DEBUG(
m_logger,
"Species '{}' not found in composition. Setting abundance to 0.0.", species.name());
-
-
-
-
-
-
338 const auto stepper = odeint::make_controlled<odeint::rosenbrock4<double>>(absTol, relTol);
-
339 stepCount = odeint::integrate_adaptive(
-
-
341 std::make_pair(rhsFunctor, jacobianFunctor),
-
-
-
-
-
-
-
348 std::vector<double> finalMassFractions(numSpecies);
-
349 for (
size_t i = 0; i < numSpecies; ++i) {
-
350 const double molarMass =
m_engine.getNetworkSpecies()[i].mass();
-
351 finalMassFractions[i] = Y(i) * molarMass;
-
-
353 finalMassFractions[i] = 0.0;
-
-
-
-
357 std::vector<std::string> speciesNames;
-
358 speciesNames.reserve(numSpecies);
-
359 for (
const auto& species :
m_engine.getNetworkSpecies()) {
-
360 speciesNames.push_back(std::string(species.name()));
-
-
-
363 Composition outputComposition(speciesNames, finalMassFractions);
-
364 outputComposition.finalize(
true);
+
+
+
316 const double temp_threshold =
m_config.get<
double>(
"gridfire:solver:policy:temp_threshold", 0.05);
+
+
318 if (temp_relative_change > temp_threshold) {
+
319 LOG_DEBUG(
m_logger,
"Temperature changed by {:.1f}%, triggering view update.", temp_relative_change * 100);
+
+
+
+
+
324 const double rho_threshold =
m_config.get<
double>(
"gridfire:solver:policy:rho_threshold", 0.10);
+
+
326 if (rho_relative_change > rho_threshold) {
+
327 LOG_DEBUG(
m_logger,
"Density changed by {:.1f}%, triggering view update.", rho_relative_change * 100);
+
+
+
+
+
+
333 const double fuel_threshold =
m_config.get<
double>(
"gridfire:solver:policy:fuel_threshold", 0.15);
+
+
+
+
337 const double h1_new = conditions.
composition.getMassFraction(
"H-1");
+
338 if (h1_old > 1e-12) {
+
339 const double h1_relative_change = std::abs(h1_new - h1_old) / h1_old;
+
340 if (h1_relative_change > fuel_threshold) {
+
341 LOG_DEBUG(
m_logger,
"H-1 mass fraction changed by {:.1f}%, triggering view update.", h1_relative_change * 100);
+
+
+
+
+
+
+
+
+
+
+
+
351 const boost::numeric::ublas::vector<double> &YDynamic,
+
352 boost::numeric::ublas::vector<double> &dYdtDynamic,
+
+
+
+
356 std::vector<double> YFull(
m_engine.getNetworkSpecies().size());
+
+
+
+
+
+
+
+
-
-
-
368 netOut.
energy = Y(numSpecies);
-
-
-
-
+
366 auto [full_dYdt, specificEnergyRate] =
m_engine.calculateRHSAndEnergy(YFull,
m_T9,
m_rho);
+
+
+
+
+
+
+
-
-
-
-
375 const boost::numeric::ublas::vector<double> &Y,
-
376 boost::numeric::ublas::vector<double> &dYdt,
-
-
-
379 const std::vector<double> y(Y.begin(),
m_numSpecies + Y.begin());
-
-
-
382 std::ranges::copy(dydt, dYdt.begin());
-
-
+
+
+
+
376 namespace ublas = boost::numeric::ublas;
+
377 namespace odeint = boost::numeric::odeint;
+
378 using fourdst::composition::Composition;
+
+
+
+
382 const unsigned long numSpecies =
m_engine.getNetworkSpecies().size();
+
+
384 const auto absTol =
m_config.get<
double>(
"gridfire:solver:DirectNetworkSolver:absTol", 1.0e-8);
+
385 const auto relTol =
m_config.get<
double>(
"gridfire:solver:DirectNetworkSolver:relTol", 1.0e-8);
+
+
387 size_t stepCount = 0;
+
+
+
+
+
392 ublas::vector<double> Y(numSpecies + 1);
+
+
394 for (
size_t i = 0; i < numSpecies; ++i) {
+
395 const auto& species =
m_engine.getNetworkSpecies()[i];
+
+
397 Y(i) = netIn.
composition.getMolarAbundance(std::string(species.name()));
+
398 }
catch (
const std::runtime_error) {
+
399 LOG_DEBUG(
m_logger,
"Species '{}' not found in composition. Setting abundance to 0.0.", species.name());
+
+
+
+
+
+
405 const auto stepper = odeint::make_controlled<odeint::rosenbrock4<double>>(absTol, relTol);
+
406 stepCount = odeint::integrate_adaptive(
+
+
408 std::make_pair(rhsFunctor, jacobianFunctor),
+
+
+
+
+
+
+
415 std::vector<double> finalMassFractions(numSpecies);
+
416 for (
size_t i = 0; i < numSpecies; ++i) {
+
417 const double molarMass =
m_engine.getNetworkSpecies()[i].mass();
+
418 finalMassFractions[i] = Y(i) * molarMass;
+
+
420 finalMassFractions[i] = 0.0;
+
+
+
+
424 std::vector<std::string> speciesNames;
+
425 speciesNames.reserve(numSpecies);
+
426 for (
const auto& species :
m_engine.getNetworkSpecies()) {
+
427 speciesNames.push_back(std::string(species.name()));
+
+
+
430 Composition outputComposition(speciesNames);
+
431 outputComposition.setMassFraction(speciesNames, finalMassFractions);
+
432 outputComposition.finalize(
true);
+
+
+
+
436 netOut.
energy = Y(numSpecies);
+
+
+
+
-
-
-
-
387 const boost::numeric::ublas::vector<double> &Y,
-
388 boost::numeric::ublas::matrix<double> &J,
-
-
390 boost::numeric::ublas::vector<double> &dfdt
-
-
-
-
-
-
396 J(i, j) =
m_engine.getJacobianMatrixEntry(i, j);
-
-
-
+
+
+
+
443 const boost::numeric::ublas::vector<double> &Y,
+
444 boost::numeric::ublas::vector<double> &dYdt,
+
+
+
447 const std::vector<double> y(Y.begin(),
m_numSpecies + Y.begin());
+
+
+
+
+
+
+
+
+
+
+
+
459 std::ranges::copy(dydt, dYdt.begin());
+
+
-
-
Abstract class for engines supporting Jacobian and stoichiometry operations.
+
+
+
+
464 const boost::numeric::ublas::vector<double> &Y,
+
465 boost::numeric::ublas::matrix<double> &J,
+
+
467 boost::numeric::ublas::vector<double> &dfdt
+
+
+
+
+
+
473 J(i, j) =
m_engine.getJacobianMatrixEntry(i, j);
+
+
+
+
+
+
Abstract class for engines supporting Jacobian and stoichiometry operations.
virtual const std::vector< fourdst::atomic::Species > & getNetworkSpecies() const =0
Get the list of species in the network.
-
A network solver that directly integrates the reaction network ODEs.
-
quill::Logger * m_logger
Logger instance.
-
fourdst::config::Config & m_config
Configuration instance.
-
NetOut evaluate(const NetIn &netIn) override
Evaluates the network for a given timestep using direct integration.
-
AdaptiveEngineView & m_engine
-
Eigen::VectorXd calculateSteadyStateAbundances(const std::vector< double > &Y, const double T9, const double rho, const dynamicQSESpeciesIndices &indices) const
Calculates the steady-state abundances of the QSE species.
-
bool shouldUpdateView(const NetIn &conditions) const
Determines whether the adaptive engine view should be updated.
-
NetIn m_lastSeenConditions
The last seen input conditions.
-
quill::Logger * m_logger
Logger instance.
-
NetOut evaluate(const NetIn &netIn) override
Evaluates the network for a given timestep using the QSE approach.
-
dynamicQSESpeciesIndices packSpeciesTypeIndexVectors(const std::vector< double > &Y, const double T9, const double rho) const
Packs the species indices into vectors based on their type (dynamic or QSE).
-
fourdst::config::Config & m_config
Configuration instance.
-
bool m_isViewInitialized
Flag indicating whether the adaptive engine view has been initialized.
-
NetOut initializeNetworkWithShortIgnition(const NetIn &netIn) const
Initializes the network with a short ignition phase.
+
A network solver that directly integrates the reaction network ODEs.
+
quill::Logger * m_logger
Logger instance.
+
fourdst::config::Config & m_config
Configuration instance.
+
NetOut evaluate(const NetIn &netIn) override
Evaluates the network for a given timestep using direct integration.
+
+
Eigen::VectorXd calculateSteadyStateAbundances(const std::vector< double > &Y, const double T9, const double rho, const dynamicQSESpeciesIndices &indices) const
Calculates the steady-state abundances of the QSE species.
+
bool shouldUpdateView(const NetIn &conditions) const
Determines whether the adaptive engine view should be updated.
+
NetIn m_lastSeenConditions
The last seen input conditions.
+
quill::Logger * m_logger
Logger instance.
+
NetOut evaluate(const NetIn &netIn) override
Evaluates the network for a given timestep using the QSE approach.
+
dynamicQSESpeciesIndices packSpeciesTypeIndexVectors(const std::vector< double > &Y, const double T9, const double rho) const
Packs the species indices into vectors based on their type (dynamic or QSE).
+
fourdst::config::Config & m_config
Configuration instance.
+
bool m_isViewInitialized
Flag indicating whether the adaptive engine view has been initialized.
+
NetOut initializeNetworkWithShortIgnition(const NetIn &netIn) const
Initializes the network with a short ignition phase.
+
+
@ BARE
No screening applied.
-
static constexpr double MIN_ABUNDANCE_THRESHOLD
Minimum abundance threshold below which species are ignored.
+
static constexpr double MIN_ABUNDANCE_THRESHOLD
Minimum abundance threshold below which species are ignored.
@@ -552,16 +631,17 @@ $(function(){initNavTree('solver_8cpp_source.html',''); initResizable(true); });
fourdst::composition::Composition composition
Composition of the network after evaluation.
double energy
Energy in ergs after evaluation.
int num_steps
Number of steps taken in the evaluation.
-
Functor for calculating the Jacobian matrix.
-
const size_t m_numSpecies
The number of species in the network.
-
DynamicEngine & m_engine
The engine used to evaluate the network.
-
void operator()(const boost::numeric::ublas::vector< double > &Y, boost::numeric::ublas::matrix< double > &J, double t, boost::numeric::ublas::vector< double > &dfdt) const
Calculates the Jacobian matrix.
-
Functor for calculating the right-hand side of the ODEs.
-
DynamicEngine & m_engine
The engine used to evaluate the network.
-
const double m_T9
Temperature in units of 10^9 K.
-
void operator()(const boost::numeric::ublas::vector< double > &Y, boost::numeric::ublas::vector< double > &dYdt, double t) const
Calculates the time derivatives of the species abundances.
-
const double m_rho
Density in g/cm^3.
-
const size_t m_numSpecies
The number of species in the network.
+
Functor for calculating the Jacobian matrix.
+
const size_t m_numSpecies
The number of species in the network.
+
DynamicEngine & m_engine
The engine used to evaluate the network.
+
void operator()(const boost::numeric::ublas::vector< double > &Y, boost::numeric::ublas::matrix< double > &J, double t, boost::numeric::ublas::vector< double > &dfdt) const
Calculates the Jacobian matrix.
+
Functor for calculating the right-hand side of the ODEs.
+
DynamicEngine & m_engine
The engine used to evaluate the network.
+
const double m_T9
Temperature in units of 10^9 K.
+
void operator()(const boost::numeric::ublas::vector< double > &Y, boost::numeric::ublas::vector< double > &dYdt, double t) const
Calculates the time derivatives of the species abundances.
+
const double m_rho
Density in g/cm^3.
+
const size_t m_numSpecies
The number of species in the network.
+
Functor for calculating the residual and Jacobian for the QSE species using Eigen.
Functor for calculating the right-hand side of the ODEs for the dynamic species.
const Eigen::VectorXd & m_Y_QSE
Steady-state abundances of the QSE species.
DynamicEngine & m_engine
The engine used to evaluate the network.
@@ -569,9 +649,10 @@ $(function(){initNavTree('solver_8cpp_source.html',''); initResizable(true); });
const std::vector< size_t > & m_dynamicSpeciesIndices
Indices of the dynamic species.
const std::vector< size_t > & m_QSESpeciesIndices
Indices of the QSE species.
const double m_rho
Density in g/cm^3.
-
void operator()(const boost::numeric::ublas::vector< double > &YDynamic, boost::numeric::ublas::vector< double > &dYdtDynamic, double t) const
Calculates the time derivatives of the dynamic species.
+
void operator()(const boost::numeric::ublas::vector< double > &YDynamic, boost::numeric::ublas::vector< double > &dYdtDynamic, double t) const
Calculates the time derivatives of the dynamic species.
Structure to hold indices of dynamic and QSE species.
std::vector< size_t > QSESpeciesIndices
Indices of fast species that are in QSE.
+
std::vector< size_t > dynamicSpeciesIndices
Indices of slow species that are not in QSE.
diff --git a/docs/html/solver_8h.html b/docs/html/solver_8h.html
index ae7fafbe..266b76fb 100644
--- a/docs/html/solver_8h.html
+++ b/docs/html/solver_8h.html
@@ -108,12 +108,12 @@ $(function(){initNavTree('solver_8h.html',''); initResizable(true); });
#include "gridfire/engine/engine_graph.h"
#include "gridfire/engine/engine_abstract.h"
-
#include "gridfire/engine/engine_adaptive.h"
+
#include "../engine/views/engine_adaptive.h"
#include "gridfire/network.h"
#include "fourdst/logging/logging.h"
#include "fourdst/config/config.h"
#include "quill/Logger.h"
-
#include "Eigen/Dense"
+
#include "unsupported/Eigen/NonLinearOptimization"
#include <vector>
Go to the source code of this file.
diff --git a/docs/html/solver_8h_source.html b/docs/html/solver_8h_source.html
index b2128dce..32fb8a1c 100644
--- a/docs/html/solver_8h_source.html
+++ b/docs/html/solver_8h_source.html
@@ -106,7 +106,7 @@ $(function(){initNavTree('solver_8h_source.html',''); initResizable(true); });
-
+
8#include "fourdst/logging/logging.h"
@@ -114,7 +114,7 @@ $(function(){initNavTree('solver_8h_source.html',''); initResizable(true); });
11#include "quill/Logger.h"
-
+
13#include "unsupported/Eigen/NonLinearOptimization"
@@ -149,9 +149,9 @@ $(function(){initNavTree('solver_8h_source.html',''); initResizable(true); });
-
+
-
104 using AdaptiveNetworkSolverStrategy::AdaptiveNetworkSolverStrategy;
+
104 using DynamicNetworkSolverStrategy::DynamicNetworkSolverStrategy;
@@ -245,191 +245,195 @@ $(function(){initNavTree('solver_8h_source.html',''); initResizable(true); });
-
+
-
-
-
-
-
-
-
-
-
-
-
-
332 const std::vector<double>& YDynamic,
-
333 const std::vector<size_t>& dynamicSpeciesIndices,
-
334 const std::vector<size_t>& QSESpeciesIndices,
-
-
-
-
-
-
-
-
-
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
336 const std::vector<double>& YFull,
+
337 const std::vector<size_t>& dynamicSpeciesIndices,
+
338 const std::vector<size_t>& QSESpeciesIndices,
+
+
+
+
+
+
+
+
+
-
-
-
-
-
+
+
+
+
+
+
+
+
-
-
362 quill::Logger*
m_logger = fourdst::logging::LogManager::getInstance().getLogger(
"log");
-
363 fourdst::config::Config&
m_config = fourdst::config::Config::getInstance();
-
-
-
-
+
+
369 quill::Logger*
m_logger = fourdst::logging::LogManager::getInstance().getLogger(
"log");
+
370 fourdst::config::Config&
m_config = fourdst::config::Config::getInstance();
+
+
+
+
-
-
-
-
-
385 using DynamicNetworkSolverStrategy::DynamicNetworkSolverStrategy;
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
+
+
+
+
+
392 using DynamicNetworkSolverStrategy::DynamicNetworkSolverStrategy;
+
+
+
+
+
+
+
+
+
+
414 quill::Logger*
m_logger = LogManager::getInstance().getLogger(
"log");
+
+
-
-
-
431 const boost::numeric::ublas::vector<double>& Y,
-
432 boost::numeric::ublas::vector<double>& dYdt,
-
-
-
+
+
+
439 const boost::numeric::ublas::vector<double>& Y,
+
440 boost::numeric::ublas::vector<double>& dYdt,
+
+
+
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
+
+
+
+
+
+
+
+
+
-
-
-
474 const boost::numeric::ublas::vector<double>& Y,
-
475 boost::numeric::ublas::matrix<double>& J,
-
-
477 boost::numeric::ublas::vector<double>& dfdt
-
-
-
+
+
+
482 const boost::numeric::ublas::vector<double>& Y,
+
483 boost::numeric::ublas::matrix<double>& J,
+
+
485 boost::numeric::ublas::vector<double>& dfdt
+
+
+
-
-
-
483 quill::Logger*
m_logger = fourdst::logging::LogManager::getInstance().getLogger(
"log");
-
484 fourdst::config::Config&
m_config = fourdst::config::Config::getInstance();
-
+
+
+
491 quill::Logger*
m_logger = fourdst::logging::LogManager::getInstance().getLogger(
"log");
+
492 fourdst::config::Config&
m_config = fourdst::config::Config::getInstance();
+
-
-
-
-
-
489 std::vector<double> YFull(
m_engine.getNetworkSpecies().size(), 0.0);
-
490 Eigen::VectorXd Y_QSE(v_QSE.array().exp());
-
-
-
-
-
-
-
497 const auto [full_dYdt, specificEnergyGenerationRate] =
m_engine.calculateRHSAndEnergy(YFull,
m_T9,
m_rho);
-
-
-
-
-
-
-
+
+
+
+
+
497 std::vector<double> y =
m_YFull;
+
498 Eigen::VectorXd Y_QSE = v_QSE_log.array().exp();
+
+
+
+
+
+
+
505 const auto [dydt, specificEnergyRate] =
m_engine.calculateRHSAndEnergy(y,
m_T9,
m_rho);
+
+
+
+
+
+
-
-
506 template <
typename T>
-
-
-
508 std::vector<double> YFull(
m_engine.getNetworkSpecies().size(), 0.0);
-
509 Eigen::VectorXd Y_QSE(v_QSE.array().exp());
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
527 for (
long j = 0; j < J_QSE.cols(); ++j) {
-
528 J_QSE.col(j) *= Y_QSE(j);
+
+
513 template <
typename T>
+
+
+
515 std::vector<double> y =
m_YFull;
+
516 Eigen::VectorXd Y_QSE = v_QSE_log.array().exp();
+
+
+
+
+
+
+
+
+
+
+
+
-
-
+
+
531 for (
long j = 0; j < J_QSE.cols(); ++j) {
+
532 J_QSE(j, j) *= Y_QSE(j);
+
+
+
-
-
-
+
+
+
-
Abstract class for engines supporting Jacobian and stoichiometry operations.
-
A network solver that directly integrates the reaction network ODEs.
-
quill::Logger * m_logger
Logger instance.
-
fourdst::config::Config & m_config
Configuration instance.
-
NetOut evaluate(const NetIn &netIn) override
Evaluates the network for a given timestep using direct integration.
+
Abstract class for engines supporting Jacobian and stoichiometry operations.
+
A network solver that directly integrates the reaction network ODEs.
+
quill::Logger * m_logger
Logger instance.
+
fourdst::config::Config & m_config
Configuration instance.
+
NetOut evaluate(const NetIn &netIn) override
Evaluates the network for a given timestep using direct integration.
Abstract base class for network solver strategies.
NetworkSolverStrategy(EngineT &engine)
Constructor for the NetworkSolverStrategy.
virtual ~NetworkSolverStrategy()=default
Virtual destructor.
virtual NetOut evaluate(const NetIn &netIn)=0
Evaluates the network for a given timestep.
A network solver that uses a Quasi-Steady-State Equilibrium (QSE) approach.
-
Eigen::VectorXd calculateSteadyStateAbundances(const std::vector< double > &Y, const double T9, const double rho, const dynamicQSESpeciesIndices &indices) const
Calculates the steady-state abundances of the QSE species.
-
bool shouldUpdateView(const NetIn &conditions) const
Determines whether the adaptive engine view should be updated.
-
NetIn m_lastSeenConditions
The last seen input conditions.
-
quill::Logger * m_logger
Logger instance.
-
NetOut evaluate(const NetIn &netIn) override
Evaluates the network for a given timestep using the QSE approach.
-
dynamicQSESpeciesIndices packSpeciesTypeIndexVectors(const std::vector< double > &Y, const double T9, const double rho) const
Packs the species indices into vectors based on their type (dynamic or QSE).
-
fourdst::config::Config & m_config
Configuration instance.
-
bool m_isViewInitialized
Flag indicating whether the adaptive engine view has been initialized.
-
NetOut initializeNetworkWithShortIgnition(const NetIn &netIn) const
Initializes the network with a short ignition phase.
+
Eigen::VectorXd calculateSteadyStateAbundances(const std::vector< double > &Y, const double T9, const double rho, const dynamicQSESpeciesIndices &indices) const
Calculates the steady-state abundances of the QSE species.
+
bool shouldUpdateView(const NetIn &conditions) const
Determines whether the adaptive engine view should be updated.
+
NetIn m_lastSeenConditions
The last seen input conditions.
+
quill::Logger * m_logger
Logger instance.
+
NetOut evaluate(const NetIn &netIn) override
Evaluates the network for a given timestep using the QSE approach.
+
dynamicQSESpeciesIndices packSpeciesTypeIndexVectors(const std::vector< double > &Y, const double T9, const double rho) const
Packs the species indices into vectors based on their type (dynamic or QSE).
+
fourdst::config::Config & m_config
Configuration instance.
+
bool m_isViewInitialized
Flag indicating whether the adaptive engine view has been initialized.
+
NetOut initializeNetworkWithShortIgnition(const NetIn &netIn) const
Initializes the network with a short ignition phase.
Abstract interfaces for reaction network engines in GridFire.
@@ -440,30 +444,35 @@ $(function(){initNavTree('solver_8h_source.html',''); initResizable(true); });
-
const size_t m_numSpecies
The number of species in the network.
-
DynamicEngine & m_engine
The engine used to evaluate the network.
-
const double m_T9
Temperature in units of 10^9 K.
-
const double m_rho
Density in g/cm^3.
-
void operator()(const boost::numeric::ublas::vector< double > &Y, boost::numeric::ublas::matrix< double > &J, double t, boost::numeric::ublas::vector< double > &dfdt) const
Calculates the Jacobian matrix.
-
JacobianFunctor(DynamicEngine &engine, const double T9, const double rho)
Constructor for the JacobianFunctor.
-
DynamicEngine & m_engine
The engine used to evaluate the network.
-
const double m_T9
Temperature in units of 10^9 K.
-
void operator()(const boost::numeric::ublas::vector< double > &Y, boost::numeric::ublas::vector< double > &dYdt, double t) const
Calculates the time derivatives of the species abundances.
-
const double m_rho
Density in g/cm^3.
-
const size_t m_numSpecies
The number of species in the network.
-
RHSFunctor(DynamicEngine &engine, const double T9, const double rho)
Constructor for the RHSFunctor.
-
const std::vector< size_t > & m_dynamicSpeciesIndices
Indices of the dynamic species.
-
const double m_T9
Temperature in units of 10^9 K.
-
int operator()(const InputType &v_QSE, OutputType &f_QSE) const
Calculates the residual vector for the QSE species.
-
DynamicEngine & m_engine
The engine used to evaluate the network.
-
const double m_rho
Density in g/cm^3.
-
const std::vector< size_t > & m_QSESpeciesIndices
Indices of the QSE species.
+
const size_t m_numSpecies
The number of species in the network.
+
DynamicEngine & m_engine
The engine used to evaluate the network.
+
const double m_T9
Temperature in units of 10^9 K.
+
const double m_rho
Density in g/cm^3.
+
void operator()(const boost::numeric::ublas::vector< double > &Y, boost::numeric::ublas::matrix< double > &J, double t, boost::numeric::ublas::vector< double > &dfdt) const
Calculates the Jacobian matrix.
+
JacobianFunctor(DynamicEngine &engine, const double T9, const double rho)
Constructor for the JacobianFunctor.
+
DynamicEngine & m_engine
The engine used to evaluate the network.
+
const double m_T9
Temperature in units of 10^9 K.
+
void operator()(const boost::numeric::ublas::vector< double > &Y, boost::numeric::ublas::vector< double > &dYdt, double t) const
Calculates the time derivatives of the species abundances.
+
const double m_rho
Density in g/cm^3.
+
quill::Logger * m_logger
Logger instance.
+
const size_t m_numSpecies
The number of species in the network.
+
RHSFunctor(DynamicEngine &engine, const double T9, const double rho)
Constructor for the RHSFunctor.
+
const std::vector< size_t > & m_dynamicSpeciesIndices
Indices of the dynamic species.
+
int operator()(const InputType &v_QSE_log, OutputType &f_QSE) const
Calculates the residual vector for the QSE species.
+
+
+
const std::vector< double > & m_YFull
The full, initial abundance vector.
+
int df(const InputType &v_QSE_log, JacobianType &J_QSE) const
Calculates the Jacobian matrix for the QSE species.
+
+
const double m_T9
Temperature in units of 10^9 K.
+
DynamicEngine & m_engine
The engine used to evaluate the network.
+
EigenFunctor(DynamicEngine &engine, const std::vector< double > &YFull, const std::vector< size_t > &dynamicSpeciesIndices, const std::vector< size_t > &QSESpeciesIndices, const double T9, const double rho)
Constructor for the EigenFunctor.
+
+
const double m_rho
Density in g/cm^3.
+
const std::vector< size_t > & m_QSESpeciesIndices
Indices of the QSE species.
Eigen::Matrix< T, Eigen::Dynamic, 1 > OutputType
-
int df(const InputType &v_QSE, JacobianType &J_QSE) const
Calculates the Jacobian matrix for the QSE species.
Eigen::Matrix< T, Eigen::Dynamic, 1 > InputType
Eigen::Matrix< T, Eigen::Dynamic, Eigen::Dynamic > JacobianType
-
const std::vector< double > & m_YDynamic
Abundances of the dynamic species.
-
EigenFunctor(DynamicEngine &engine, const std::vector< double > &YDynamic, const std::vector< size_t > &dynamicSpeciesIndices, const std::vector< size_t > &QSESpeciesIndices, const double T9, const double rho)
Constructor for the EigenFunctor.
const double m_rho
Density in g/cm^3.
const std::vector< size_t > & m_QSESpeciesIndices
Indices of the QSE species.
const std::vector< size_t > & m_dynamicSpeciesIndices
Indices of the dynamic species.
@@ -479,7 +488,7 @@ $(function(){initNavTree('solver_8h_source.html',''); initResizable(true); });
const std::vector< size_t > & m_QSESpeciesIndices
Indices of the QSE species.
const double m_rho
Density in g/cm^3.
-
void operator()(const boost::numeric::ublas::vector< double > &YDynamic, boost::numeric::ublas::vector< double > &dYdtDynamic, double t) const
Calculates the time derivatives of the dynamic species.
+
void operator()(const boost::numeric::ublas::vector< double > &YDynamic, boost::numeric::ublas::vector< double > &dYdtDynamic, double t) const
Calculates the time derivatives of the dynamic species.
Structure to hold indices of dynamic and QSE species.
std::vector< size_t > QSESpeciesIndices
Indices of fast species that are in QSE.
std::vector< size_t > dynamicSpeciesIndices
Indices of slow species that are not in QSE.
diff --git a/docs/html/structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow-members.html b/docs/html/structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow-members.html
index a6d6da30..92c133a0 100644
--- a/docs/html/structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow-members.html
+++ b/docs/html/structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow-members.html
@@ -106,7 +106,7 @@ $(function(){initNavTree('structgridfire_1_1_adaptive_engine_view_1_1_reaction_f
This is the complete list of members for gridfire::AdaptiveEngineView::ReactionFlow, including all inherited members.
diff --git a/docs/html/structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow.html b/docs/html/structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow.html
index 3abcf982..9f76f7d8 100644
--- a/docs/html/structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow.html
+++ b/docs/html/structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow.html
@@ -111,15 +111,15 @@ $(function(){initNavTree('structgridfire_1_1_adaptive_engine_view_1_1_reaction_f
A struct to hold a reaction and its flow rate.
-
Definition at line 314 of file engine_adaptive.h.
+
Definition at line 251 of file engine_adaptive.h.
◆ flowRate
@@ -133,28 +133,28 @@ Public Attributes
-
-
◆ reactionPtr
+
+
◆ reactionPtr
The documentation for this struct was generated from the following file:
diff --git a/docs/html/structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow.js b/docs/html/structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow.js
index c5e10a61..0a73992f 100644
--- a/docs/html/structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow.js
+++ b/docs/html/structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow.js
@@ -1,5 +1,5 @@
var structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow =
[
[ "flowRate", "structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow.html#a6c2e9087f6c8af5d89a5f0de7bd4a5b4", null ],
- [ "reactionPtr", "structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow.html#afc894db76a799be17be91130ff3ae6d9", null ]
+ [ "reactionPtr", "structgridfire_1_1_adaptive_engine_view_1_1_reaction_flow.html#a3bb21f20df8115d37108cf3c3be3bc6f", null ]
];
\ No newline at end of file
diff --git a/docs/html/structgridfire_1_1_step_derivatives.html b/docs/html/structgridfire_1_1_step_derivatives.html
index 3ec0bf54..54b35de7 100644
--- a/docs/html/structgridfire_1_1_step_derivatives.html
+++ b/docs/html/structgridfire_1_1_step_derivatives.html
@@ -135,11 +135,11 @@ struct gridfire::StepDerivatives< T >
Structure holding derivative
}
-
Structure holding derivatives and energy generation for a network step.
-
T nuclearEnergyGenerationRate
Specific energy generation rate (e.g., erg/g/s).
-
std::vector< T > dydt
Derivatives of abundances (dY/dt for each species).
+
Structure holding derivatives and energy generation for a network step.
+
T nuclearEnergyGenerationRate
Specific energy generation rate (e.g., erg/g/s).
+
std::vector< T > dydt
Derivatives of abundances (dY/dt for each species).
-
Definition at line 50 of file engine_abstract.h.
+
Definition at line 53 of file engine_abstract.h.
◆ dydt
@@ -157,7 +157,7 @@ template<IsArithmeticOrAD T>
Derivatives of abundances (dY/dt for each species).
-
Definition at line 51 of file engine_abstract.h.
+
Definition at line 54 of file engine_abstract.h.
Public Member Functions inherited from gridfire::Engine
