teqp 0.22.0
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teqp::association::DufalData Struct Reference

#include <association_types.hpp>

Public Member Functions

void apply_mixing_rules ()
 

Public Attributes

Eigen::ArrayXd sigma_m
 
Eigen::ArrayXd epsilon_Jmol
 
Eigen::ArrayXd lambda_r
 
Eigen::ArrayXXd kmat
 Matrix of k_{ij} values.
 
Eigen::ArrayXd epsilon_HB_Jmol
 
Eigen::ArrayXd K_HB_m3
 
Eigen::ArrayXd SIGMA3ij_m3
 
Eigen::ArrayXd EPSILONOVERKij_K
 
Eigen::ArrayXd LAMBDA_Rij
 
Eigen::ArrayXd EPSILONOVERK_HBij_K
 
Eigen::ArrayXd KHBij_m3
 

Detailed Description

Definition at line 47 of file association_types.hpp.

Member Function Documentation

◆ apply_mixing_rules()

void teqp::association::DufalData::apply_mixing_rules ( )
inline

Definition at line 57 of file association_types.hpp.

Member Data Documentation

◆ epsilon_HB_Jmol

Eigen::ArrayXd teqp::association::DufalData::epsilon_HB_Jmol

Definition at line 53 of file association_types.hpp.

◆ epsilon_Jmol

Eigen::ArrayXd teqp::association::DufalData::epsilon_Jmol

Definition at line 49 of file association_types.hpp.

◆ EPSILONOVERK_HBij_K

Eigen::ArrayXd teqp::association::DufalData::EPSILONOVERK_HBij_K

Definition at line 55 of file association_types.hpp.

◆ EPSILONOVERKij_K

Eigen::ArrayXd teqp::association::DufalData::EPSILONOVERKij_K

Definition at line 55 of file association_types.hpp.

◆ K_HB_m3

Eigen::ArrayXd teqp::association::DufalData::K_HB_m3

Definition at line 53 of file association_types.hpp.

◆ KHBij_m3

Eigen::ArrayXd teqp::association::DufalData::KHBij_m3

Definition at line 55 of file association_types.hpp.

◆ kmat

Eigen::ArrayXXd teqp::association::DufalData::kmat

Matrix of k_{ij} values.

Definition at line 50 of file association_types.hpp.

◆ lambda_r

Eigen::ArrayXd teqp::association::DufalData::lambda_r

Definition at line 49 of file association_types.hpp.

◆ LAMBDA_Rij

Eigen::ArrayXd teqp::association::DufalData::LAMBDA_Rij

Definition at line 55 of file association_types.hpp.

◆ SIGMA3ij_m3

Eigen::ArrayXd teqp::association::DufalData::SIGMA3ij_m3

Definition at line 55 of file association_types.hpp.

◆ sigma_m

Eigen::ArrayXd teqp::association::DufalData::sigma_m

Definition at line 49 of file association_types.hpp.


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