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

The options for smart chemical kinetics calculation. More...

#include <SmartKineticsOptions.hpp>

Collaboration diagram for SmartKineticsOptions:
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## Public Member Functions

SmartKineticsOptions ()=default
Construct a default SmartKineticsOptions object.

SmartKineticsOptions (SmartEquilibriumOptions const &other)
Construct a SmartKineticsOptions object from a SmartEquilibriumOptions one.

Public Attributes inherited from SmartEquilibriumOptions
EquilibriumOptions learning
The options for the chemical equilibrium calculations during learning operations.

double reltol_negative_amounts = -1.0e-14
The relative tolerance for negative species amounts when predicting with first-order Taylor approximation. More...

double reltol = 0.005
The relative tolerance used in the acceptance test for the predicted chemical equilibrium state.

double abstol = 0.01
The absolute tolerance used in the acceptance test for the predicted chemical equilibrium state.

double temperature_step = 10.0
The step length used to discretize temperature in the temperature-pressure space when storing learned calculations (in K).

double pressure_step = 25.0e+5
The step length used to discretize pressure in the temperature-pressure space when storing learned calculations (in Pa).

## Detailed Description

The options for smart chemical kinetics calculation.

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