#include <critical_tracing_types.hpp>

Public Attributes
double	abs_err = 1.0e-6

double	rel_err = 1.0e-6

double	init_dt = 10
	The initial step size.

double	max_dt = 10000000000

double	T_tol = 1e-6
	The tolerance on temperature to indicate that it is converged.

double	init_c = 1.0
	The c parameter which controls the initial search direction for the first step. Choices are 1 or -1.

int	small_T_count = 5
	How many small temperature steps indicates convergence.

int	integration_order = 5
	The order of integration, either 1 for simple Euler or 5 for adaptive RK45.

int	max_step_count = 1000
	Maximum number of steps allowed.

int	skip_dircheck_count = 1
	Only start checking the direction dot product after this many steps.

bool	polish = false
	If true, polish the solution at every step.

double	polish_reltol_T = 0.01
	The maximum allowed change in temperature when polishing.

double	polish_reltol_rho = 0.05
	The maximum allowed change in any molar concentration when polishing.

bool	terminate_negative_density = true
	Stop the tracing if the density is negative.

bool	calc_stability = false
	Calculate the local stability with the method of Deiters and Bell.

double	stability_rel_drho = 0.001
	The relative size of the step (relative to the sum of the molar concentration vector) to be used when taking the step in the direction of \(\sigma_1\) when assessing local stability.

int	verbosity = 0
	The greater the verbosity, the more output you will get, especially about polishing failures.

bool	polish_exception_on_fail = false
	If true, when polishing fails, throw an exception, otherwise, terminate tracing.

bool	pure_endpoint_polish = false
	If true, if the last step crossed into negative concentrations, try to interpolate to find the pure fluid endpoint hiding in the data.

Detailed Description

Definition at line 5 of file critical_tracing_types.hpp.

Member Data Documentation

◆ abs_err

double teqp::TCABOptions::abs_err = 1.0e-6

Definition at line 6 of file critical_tracing_types.hpp.

◆ calc_stability

bool teqp::TCABOptions::calc_stability = false

Calculate the local stability with the method of Deiters and Bell.

Definition at line 20 of file critical_tracing_types.hpp.

◆ init_c

double teqp::TCABOptions::init_c = 1.0

The c parameter which controls the initial search direction for the first step. Choices are 1 or -1.

Definition at line 11 of file critical_tracing_types.hpp.

◆ init_dt

double teqp::TCABOptions::init_dt = 10

The initial step size.

Definition at line 8 of file critical_tracing_types.hpp.

◆ integration_order

int teqp::TCABOptions::integration_order = 5

The order of integration, either 1 for simple Euler or 5 for adaptive RK45.

Definition at line 13 of file critical_tracing_types.hpp.

◆ max_dt

double teqp::TCABOptions::max_dt = 10000000000

Definition at line 9 of file critical_tracing_types.hpp.

◆ max_step_count

int teqp::TCABOptions::max_step_count = 1000

Maximum number of steps allowed.

Definition at line 14 of file critical_tracing_types.hpp.

◆ polish

bool teqp::TCABOptions::polish = false

If true, polish the solution at every step.

Definition at line 16 of file critical_tracing_types.hpp.

◆ polish_exception_on_fail

bool teqp::TCABOptions::polish_exception_on_fail = false

If true, when polishing fails, throw an exception, otherwise, terminate tracing.

Definition at line 23 of file critical_tracing_types.hpp.

◆ polish_reltol_rho

double teqp::TCABOptions::polish_reltol_rho = 0.05

The maximum allowed change in any molar concentration when polishing.

Definition at line 18 of file critical_tracing_types.hpp.

◆ polish_reltol_T

double teqp::TCABOptions::polish_reltol_T = 0.01

The maximum allowed change in temperature when polishing.

Definition at line 17 of file critical_tracing_types.hpp.

◆ pure_endpoint_polish

bool teqp::TCABOptions::pure_endpoint_polish = false

If true, if the last step crossed into negative concentrations, try to interpolate to find the pure fluid endpoint hiding in the data.

Definition at line 24 of file critical_tracing_types.hpp.

◆ rel_err

double teqp::TCABOptions::rel_err = 1.0e-6

Definition at line 7 of file critical_tracing_types.hpp.

◆ skip_dircheck_count

int teqp::TCABOptions::skip_dircheck_count = 1

Only start checking the direction dot product after this many steps.

Definition at line 15 of file critical_tracing_types.hpp.

◆ small_T_count

int teqp::TCABOptions::small_T_count = 5

How many small temperature steps indicates convergence.

Definition at line 12 of file critical_tracing_types.hpp.

◆ stability_rel_drho

double teqp::TCABOptions::stability_rel_drho = 0.001

The relative size of the step (relative to the sum of the molar concentration vector) to be used when taking the step in the direction of \(\sigma_1\) when assessing local stability.

Definition at line 21 of file critical_tracing_types.hpp.

◆ T_tol

double teqp::TCABOptions::T_tol = 1e-6

The tolerance on temperature to indicate that it is converged.

Definition at line 10 of file critical_tracing_types.hpp.

◆ terminate_negative_density

bool teqp::TCABOptions::terminate_negative_density = true

Stop the tracing if the density is negative.

Definition at line 19 of file critical_tracing_types.hpp.

◆ verbosity

int teqp::TCABOptions::verbosity = 0

The greater the verbosity, the more output you will get, especially about polishing failures.

Definition at line 22 of file critical_tracing_types.hpp.

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

include/teqp/algorithms/critical_tracing_types.hpp

Public Attributes