Reaktoro  v2.1.1
A unified framework for modeling chemically reactive systems
KineticsOptions Struct Reference

The options for chemical kinetics calculation. More...

#include <KineticsOptions.hpp>

Collaboration diagram for KineticsOptions:
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Public Member Functions

 KineticsOptions ()
 Construct a default KineticsOptions object.
 
 KineticsOptions (EquilibriumOptions const &other)
 Construct a KineticsOptions object from a EquilibriumOptions one.
 

Public Attributes

double dt0 = 1e-6
 The time step used for preconditioning the chemical state when performing the very first chemical kinetics step.
 
- Public Attributes inherited from EquilibriumOptions
Optima::Options optima
 The options for the optimisation solver.
 
double epsilon = 1e-16
 The default lower bound for the amounts of the species.
 
double logarithm_barrier_factor = 1.0
 The value multiplied by epsilon to compute the logarithm barrier penalty parameter \(\tau\).
 
bool warmstart = true
 The flag indicating if warm-start strategy should be used when possible. More...
 
bool use_ideal_activity_models = false
 The flag indicating if ideal activity models should be used in the calculations.
 
GibbsHessian hessian = GibbsHessian::PartiallyExact
 The calculation mode of the Hessian of the Gibbs energy function.
 

Detailed Description

The options for chemical kinetics calculation.


The documentation for this struct was generated from the following file: