JDFTx  1.2.0
Fex_H2O_BondedVoids.h
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19 
20 #ifndef JDFTX_FLUID_FEX_H2O_BONDEDVOIDS_H
21 #define JDFTX_FLUID_FEX_H2O_BONDEDVOIDS_H
22 #include <fluid/Fex.h>
23 
24 class Fex_H2O_BondedVoids : public Fex
25 {
26 public:
31  virtual ~Fex_H2O_BondedVoids();
32 
33  double compute(const ScalarFieldTilde* Ntilde, ScalarFieldTilde* Phi_Ntilde) const;
34  double computeUniform(const double* N, double* Phi_N) const;
35 
36  static const double RV0, TV, kappa, RO, sigmaU;
37 private:
38  RadialFunctionG Ua;
39 };
40 
41 
42 #endif // JDFTX_FLUID_FEX_H2O_BONDEDVOIDS_H
double computeUniform(const double *N, double *Phi_N) const
Mixture of fluids that provides the total free energy functional for minimization Constructing Fex an...
Definition: FluidMixture.h:32
std::shared_ptr< ScalarFieldTildeData > ScalarFieldTilde
A smart reference-counting pointer to ScalarFieldTildeData.
Definition: ScalarField.h:45
double compute(const ScalarFieldTilde *Ntilde, ScalarFieldTilde *Phi_Ntilde) const
Abstract base class for excess functionals.
Definition: Fex.h:29
Definition: Fex_H2O_BondedVoids.h:24
static const double sigmaU
Functional parameters.
Definition: Fex_H2O_BondedVoids.h:36
Named fluid components for which bulk properties / geometries / excess functionals are available...
Definition: FluidComponent.h:27
G-space radial function stored on a uniform grid (of |G|)
Definition: RadialFunction.h:28
Fex_H2O_BondedVoids(const FluidMixture *, const FluidComponent *)