Fmix Class Reference

Abstract base class for mixing functionals: interactions between fluids (beyond hard sphere and scaled coulomb) More...

#include <Fmix.h>

Inheritance diagram for Fmix:

Public Member Functions
	Fmix (FluidMixture *fluidMixture)
	Initialize base and register with this fluidMixture.
virtual string	getName () const =0
	A string identifier for this mixing functional (used in EnergyComponent label)
virtual double	compute (const ScalarFieldTildeArray &Ntilde, ScalarFieldTildeArray &Phi_Ntilde) const =0
virtual double	computeUniform (const std::vector< double > &N, std::vector< double > &Phi_N) const =0

Public Attributes
const GridInfo &	gInfo
const double	T

Detailed Description

Abstract base class for mixing functionals: interactions between fluids (beyond hard sphere and scaled coulomb)

Member Function Documentation

compute()

virtual double Fmix::compute ( const ScalarFieldTildeArray &  Ntilde, ScalarFieldTildeArray &  Phi_Ntilde  ) const

pure virtual

Return the interaction free energy given the reciprocal space site densities and accumulate the gradient (functional derivative) w.r.t them in Phi_Ntilde Note that unlike Fex, all site densities are handed to an Fmix and it is Fmix's responsibility to pick up the correct site densities (perhaps using FluidMixture::get_offsetDensity())

Implemented in VDWCoupling, Fmix_GaussianKernel, Fmix_LJ, and ConvCoupling.

computeUniform()

virtual double Fmix::computeUniform ( const std::vector< double > &  N, std::vector< double > &  Phi_N  ) const

pure virtual

Return the uniform fluid interaction 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 Note that unlike Fex, all site densities are handed to an Fmix and it is Fmix's responsibility to pick up the correct site densities (perhaps using FluidMixture::get_offsetDensity())

Implemented in VDWCoupling, Fmix_GaussianKernel, Fmix_LJ, and ConvCoupling.

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

• fluid/Fmix.h