Fex_H2O_FittedCorrelations.h

/*-------------------------------------------------------------------
Copyright 2011 Ravishankar Sundararaman

This file is part of JDFTx.

JDFTx is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.

JDFTx is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
GNU General Public License for more details.

You should have received a copy of the GNU General Public License
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-------------------------------------------------------------------*/

#ifndef JDFTX_FLUID_FEX_H2O_FITTEDCORRELATIONS_H
#define JDFTX_FLUID_FEX_H2O_FITTEDCORRELATIONS_H
#include <fluid/Fex.h>

class Fex_H2O_FittedCorrelations : public Fex
{
public:
        Fex_H2O_FittedCorrelations(const FluidMixture*, const FluidComponent*);
    virtual ~Fex_H2O_FittedCorrelations();
        
        double compute(const ScalarFieldTilde* Ntilde, ScalarFieldTilde* Phi_Ntilde) const;
        double computeUniform(const double* N, double* Phi_N) const;
private:
        RadialFunctionG COO, COH, CHH, fex_gauss;
};


#endif // JDFTX_FLUID_FEX_H2O_FITTEDCORRELATIONS_H