Xyce
6.1
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#include <N_DEV_Reaction.h>
Public Member Functions | |
Reaction () | |
Reaction (std::vector< std::pair< int, double > > &, std::vector< std::pair< int, double > > &, double) | |
Reaction (const Reaction &right) | |
~Reaction () | |
void | setRateConstant (double) |
void | setRateConstantFromCalculator (double T) |
void | setRateConstantFromCalculator (double T, std::vector< double > &concs, std::vector< double > &constant_vec) |
void | scaleRateConstant (double) |
void | scaleRateConstantFromCalculator () |
void | unscaleRateConstantFromCalculator () |
void | setReactants (std::vector< std::pair< int, double > > &products) |
void | addReactant (int species, double stoich) |
void | setProducts (std::vector< std::pair< int, double > > &products) |
void | addProduct (int species, double stoich) |
double | getRate (std::vector< double > &concentrations, std::vector< double > &constants) |
void | getDdt (std::vector< double > &concentrations, std::vector< double > &constants, std::vector< double > &ddt) |
void | getDRateDC (std::vector< double > &concentrations, std::vector< double > &constants, std::vector< double > &dratedc) |
void | getDRateDConst (int constNum, std::vector< double > &concentrations, std::vector< double > &constants, double &dratedc) |
void | getJac (std::vector< double > &concentrations, std::vector< double > &constants, std::vector< std::vector< double > > &jac) |
void | getDFdConst (int constantNumber, std::vector< double > &concentrations, std::vector< double > &constants, std::vector< double > &dFdConst) |
void | output (const std::vector< Specie > &species, std::ostream &os) const |
void | setSimpleRateCalculator (double k, double C0, double t0, double x0) |
void | setCaptureRateCalculator (double sigma, double v, double C0, double t0, double x0) |
void | setEmissionRateCalculator (double sigma, double v, double N, double Energy, double C0, double t0, double x0) |
void | setComplexRateCalculator (std::vector< Specie > &VariableSpecies, std::vector< Specie > &ConstantSpecies, double C0, double t0, double x0) |
void | setDecomplexRateCalculator (std::vector< Specie > &VariableSpecies, std::vector< Specie > &ConstantSpecies, double bindingEnergy, double gammaAB, double gammaA, double gammaB, double concSi, double C0, double t0, double x0) |
void | setBourgoinCorbettHoleRateCalculator (std::vector< Specie > &VariableSpecies, std::vector< Specie > &ConstantSpecies, double sigma, double C0, double t0, double x0) |
void | setScaleFactors (double C0, double t0, double x0) |
Reaction & | operator= (const Reaction &right) |
Private Member Functions | |
void | setDependency (int cSize) |
void | setConstDependency (int cSize) |
Private Attributes | |
std::vector< std::pair< int, double > > | theReactants |
std::vector< std::pair< int, double > > | theProducts |
double | theRateConstant |
int | numconcs |
int | numconsts |
std::vector< int > | concDependency |
std::vector< int > | constDependency |
RateCalculator * | myRateCalc |
Definition at line 63 of file N_DEV_Reaction.h.
Xyce::Device::Reaction::Reaction | ( | ) |
Definition at line 84 of file N_DEV_Reaction.C.
Xyce::Device::Reaction::Reaction | ( | std::vector< std::pair< int, double > > & | reactants, |
std::vector< std::pair< int, double > > & | products, | ||
double | rateConstant | ||
) |
Definition at line 105 of file N_DEV_Reaction.C.
Xyce::Device::Reaction::Reaction | ( | const Reaction & | right | ) |
Definition at line 131 of file N_DEV_Reaction.C.
Xyce::Device::Reaction::~Reaction | ( | ) |
Definition at line 207 of file N_DEV_Reaction.C.
void Xyce::Device::Reaction::addProduct | ( | int | species, |
double | stoich | ||
) |
Definition at line 270 of file N_DEV_Reaction.C.
void Xyce::Device::Reaction::addReactant | ( | int | species, |
double | stoich | ||
) |
Definition at line 237 of file N_DEV_Reaction.C.
void Xyce::Device::Reaction::getDdt | ( | std::vector< double > & | concentrations, |
std::vector< double > & | constants, | ||
std::vector< double > & | ddt | ||
) |
Definition at line 566 of file N_DEV_Reaction.C.
void Xyce::Device::Reaction::getDFdConst | ( | int | constantNumber, |
std::vector< double > & | concentrations, | ||
std::vector< double > & | constants, | ||
std::vector< double > & | dFdConst | ||
) |
Definition at line 712 of file N_DEV_Reaction.C.
void Xyce::Device::Reaction::getDRateDC | ( | std::vector< double > & | concentrations, |
std::vector< double > & | constants, | ||
std::vector< double > & | dratedc | ||
) |
Definition at line 389 of file N_DEV_Reaction.C.
void Xyce::Device::Reaction::getDRateDConst | ( | int | constNum, |
std::vector< double > & | concentrations, | ||
std::vector< double > & | constants, | ||
double & | dratedc | ||
) |
Definition at line 485 of file N_DEV_Reaction.C.
void Xyce::Device::Reaction::getJac | ( | std::vector< double > & | concentrations, |
std::vector< double > & | constants, | ||
std::vector< std::vector< double > > & | jac | ||
) |
Definition at line 628 of file N_DEV_Reaction.C.
double Xyce::Device::Reaction::getRate | ( | std::vector< double > & | concentrations, |
std::vector< double > & | constants | ||
) |
Definition at line 325 of file N_DEV_Reaction.C.
Definition at line 164 of file N_DEV_Reaction.C.
void Xyce::Device::Reaction::output | ( | const std::vector< Specie > & | species, |
std::ostream & | os | ||
) | const |
Definition at line 1043 of file N_DEV_Reaction.C.
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inline |
Definition at line 171 of file N_DEV_Reaction.h.
void Xyce::Device::Reaction::scaleRateConstantFromCalculator | ( | ) |
Definition at line 951 of file N_DEV_Reaction.C.
void Xyce::Device::Reaction::setBourgoinCorbettHoleRateCalculator | ( | std::vector< Specie > & | VariableSpecies, |
std::vector< Specie > & | ConstantSpecies, | ||
double | sigma, | ||
double | C0, | ||
double | t0, | ||
double | x0 | ||
) |
Definition at line 888 of file N_DEV_Reaction.C.
void Xyce::Device::Reaction::setCaptureRateCalculator | ( | double | sigma, |
double | v, | ||
double | C0, | ||
double | t0, | ||
double | x0 | ||
) |
Definition at line 790 of file N_DEV_Reaction.C.
void Xyce::Device::Reaction::setComplexRateCalculator | ( | std::vector< Specie > & | VariableSpecies, |
std::vector< Specie > & | ConstantSpecies, | ||
double | C0, | ||
double | t0, | ||
double | x0 | ||
) |
Definition at line 835 of file N_DEV_Reaction.C.
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private |
Definition at line 1018 of file N_DEV_Reaction.C.
void Xyce::Device::Reaction::setDecomplexRateCalculator | ( | std::vector< Specie > & | VariableSpecies, |
std::vector< Specie > & | ConstantSpecies, | ||
double | bindingEnergy, | ||
double | gammaAB, | ||
double | gammaA, | ||
double | gammaB, | ||
double | concSi, | ||
double | C0, | ||
double | t0, | ||
double | x0 | ||
) |
Definition at line 858 of file N_DEV_Reaction.C.
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private |
Definition at line 990 of file N_DEV_Reaction.C.
void Xyce::Device::Reaction::setEmissionRateCalculator | ( | double | sigma, |
double | v, | ||
double | N, | ||
double | Energy, | ||
double | C0, | ||
double | t0, | ||
double | x0 | ||
) |
Definition at line 812 of file N_DEV_Reaction.C.
void Xyce::Device::Reaction::setProducts | ( | std::vector< std::pair< int, double > > & | products | ) |
Definition at line 302 of file N_DEV_Reaction.C.
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inline |
Definition at line 158 of file N_DEV_Reaction.h.
void Xyce::Device::Reaction::setRateConstantFromCalculator | ( | double | T | ) |
Definition at line 912 of file N_DEV_Reaction.C.
void Xyce::Device::Reaction::setRateConstantFromCalculator | ( | double | T, |
std::vector< double > & | concs, | ||
std::vector< double > & | constant_vec | ||
) |
Definition at line 931 of file N_DEV_Reaction.C.
void Xyce::Device::Reaction::setReactants | ( | std::vector< std::pair< int, double > > & | products | ) |
Definition at line 224 of file N_DEV_Reaction.C.
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inline |
Definition at line 127 of file N_DEV_Reaction.h.
void Xyce::Device::Reaction::setSimpleRateCalculator | ( | double | k, |
double | C0, | ||
double | t0, | ||
double | x0 | ||
) |
Definition at line 769 of file N_DEV_Reaction.C.
void Xyce::Device::Reaction::unscaleRateConstantFromCalculator | ( | ) |
Definition at line 969 of file N_DEV_Reaction.C.
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Definition at line 143 of file N_DEV_Reaction.h.
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Definition at line 144 of file N_DEV_Reaction.h.
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Definition at line 145 of file N_DEV_Reaction.h.
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Definition at line 141 of file N_DEV_Reaction.h.
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Definition at line 142 of file N_DEV_Reaction.h.
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Definition at line 139 of file N_DEV_Reaction.h.
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Definition at line 140 of file N_DEV_Reaction.h.
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Definition at line 138 of file N_DEV_Reaction.h.