Abstract base class for excess functionals. More...
#include <Fex.h>
Public Member Functions  
Fex (const FluidMixture *, const FluidComponent *)  
virtual double  compute (const ScalarFieldTilde *Ntilde, ScalarFieldTilde *Phi_Ntilde) const =0 
virtual double  computeUniform (const double *N, double *Phi_N) const =0 
Public Attributes  
const Molecule &  molecule 
const GridInfo &  gInfo 
const double  T 
Abstract base class for excess functionals.

pure 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
Implemented in Fex_ScalarEOS, Fex_LJ, Fex_H2O_FittedCorrelations, and Fex_H2O_BondedVoids.

pure 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
Implemented in Fex_ScalarEOS, Fex_LJ, Fex_H2O_FittedCorrelations, and Fex_H2O_BondedVoids.