Abstract base class for mixing functionals: interactions between fluids (beyond hard sphere and scaled coulomb) More...
#include <Fmix.h>
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 Ñ, 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 
Abstract base class for mixing functionals: interactions between fluids (beyond hard sphere and scaled coulomb)

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.

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.