Water 'BondedVoids' excess functional from [31]. More...

#include <Fex_H2O_BondedVoids.h>

Inheritance diagram for Fex_H2O_BondedVoids:

Public Member Functions
	Fex_H2O_BondedVoids (const FluidMixture , const FluidComponent )

double	compute (const ScalarFieldTilde Ntilde, ScalarFieldTilde Phi_Ntilde) const

double	computeUniform (const double N, double Phi_N) const

Public Member Functions inherited from Fex
	Fex (const FluidMixture , const FluidComponent )

Static Public Attributes
static const double	RV0

static const double	TV

static const double	kappa

static const double	RO

static const double	sigmaU
	Functional parameters.

Additional Inherited Members
Public Attributes inherited from Fex
const Molecule &	molecule

const GridInfo &	gInfo

const double	T

Detailed Description

Water 'BondedVoids' excess functional from [31].

Member Function Documentation

double Fex_H2O_BondedVoids::compute	(	const ScalarFieldTilde *	Ntilde,
		ScalarFieldTilde *	Phi_Ntilde
	)		const

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

Implements Fex.

double Fex_H2O_BondedVoids::computeUniform	(	const double *	N,
		double *	Phi_N
	)		const

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

Implements Fex.

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

fluid/Fex_H2O_BondedVoids.h

Public Member Functions

Static Public Attributes

Additional Inherited Members

Detailed Description

Member Function Documentation