Fex_LJ Class Reference

Lennard Jones fluid treated as a mean field perturbation about a soft FMT core. More...

#include <Fex_LJ.h>

Inheritance diagram for Fex_LJ:

Public Member Functions
	Fex_LJ (const FluidMixture *, const FluidComponent *, double eps, double sigmaOverride=0.0)
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 *)

Friends
class	Fmix_LJ

Additional Inherited Members
Public Attributes inherited from Fex
const Molecule &	molecule
const GridInfo &	gInfo
const double	T

Detailed Description

Lennard Jones fluid treated as a mean field perturbation about a soft FMT core.

Constructor & Destructor Documentation

Fex_LJ::Fex_LJ	(	const FluidMixture *	,
		const FluidComponent *	,
		double	eps,
		double	sigmaOverride = 0.0
	)

Create a fluid of Lennard-Jones particles with well-depth eps The range parameter sigma is set to the hard sphere diameter of the first site

Member Function Documentation

double Fex_LJ::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_LJ::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_LJ.h