Abstract base class for excess functionals. More...

#include <Fex.h>

Inheritance diagram for Fex:

Public Member Functions
	Fex (const FluidMixture , const FluidComponent )

virtual double	compute (const ScalarFieldTilde Ntilde, ScalarFieldTilde Phi_Ntilde) const =0

virtual double	computeUniform (const double N, double Phi_N) const =0

Public Attributes
const Molecule &	molecule

const GridInfo &	gInfo

const double	T

Detailed Description

Abstract base class for excess functionals.

Member Function Documentation

virtual double Fex::compute	(	const ScalarFieldTilde *	Ntilde,
		ScalarFieldTilde *	Phi_Ntilde
	)		const

pure virtual

Return the excess free energy given the reciprocal space site densities and accumulate the gradient (functional derivative) w.r.t them in Phi_Ntilde

Implemented in Fex_ScalarEOS, Fex_LJ, Fex_H2O_BondedVoids, and Fex_H2O_FittedCorrelations.

virtual double Fex::computeUniform	(	const double *	N,
		double *	Phi_N
	)		const

pure virtual

Return the uniform fluid excess free energy density given the site densities N and accumulate the derivative w.r.t them in Phi_N. This MUST return the result corresponding to calling compute() with a uniform scalar field. This is called several times during FluidMixture::initialize() to get the desired bulk properties

Implemented in Fex_ScalarEOS, Fex_LJ, Fex_H2O_BondedVoids, and Fex_H2O_FittedCorrelations.

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

fluid/Fex.h

Public Member Functions

Public Attributes

Detailed Description

Member Function Documentation