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.
 

Additional Inherited Members

- 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: