KineticsOptions Struct Reference

The options for chemical kinetics calculation. More...

#include <KineticsOptions.hpp>

Collaboration diagram for KineticsOptions:

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.

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

• Reaktoro/Kinetics/KineticsOptions.hpp