Fex_H2O_BondedVoids Class Reference

Water 'BondedVoids' excess functional from [34]. 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 [34].

Member Function Documentation

compute()

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.

computeUniform()

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.

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

• fluid/Fex_H2O_BondedVoids.h