JDFTx  1.7.0
TaoMasonEOS_eval Struct Reference

Tao-Mason equation of state [F. Tao and E. A. Mason, J. Chem. Phys. 100, 9075 (1994)]. More...

#include <Fex_ScalarEOS_internal.h>

Inheritance diagram for TaoMasonEOS_eval:
ScalarEOS_eval

Public Member Functions

 TaoMasonEOS_eval (double T, double Tc, double Pc, double omega)
 Construct the equation of state for temperature T, given critical point and acentricity (all in atomic units)
 
__hostanddev__ void operator() (int i, const double *Nbar, double *Aex, double *Aex_Nbar, double Vhs) const
 
- Public Member Functions inherited from ScalarEOS_eval
double vdwRadius () const
 
__hostanddev__ double getAhs (double N, double &Ahs_N, double Vhs) const
 

Public Attributes

double lambda
 
double prefacQuad
 
double prefacVap
 
double prefacPole
 
- Public Attributes inherited from ScalarEOS_eval
double T
 
double b
 temperature and exclusion volume
 

Detailed Description

Tao-Mason equation of state [F. Tao and E. A. Mason, J. Chem. Phys. 100, 9075 (1994)].


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