Lennard Jones fluid treated as a mean field perturbation about a soft FMT core. More...
#include <Fex_LJ.h>
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 
Lennard Jones fluid treated as a mean field perturbation about a soft FMT core.
Fex_LJ::Fex_LJ  (  const FluidMixture *  , 
const FluidComponent *  ,  
double  eps,  
double  sigmaOverride = 0.0 

) 
Create a fluid of LennardJones particles with welldepth eps The range parameter sigma is set to the hard sphere diameter of the first site

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.

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.