IdealGasPomega.h

/*-------------------------------------------------------------------
Copyright 2012 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
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JDFTx is distributed in the hope that it will be useful,
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You should have received a copy of the GNU General Public License
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#ifndef JDFTX_FLUID_IDEALGASPOMEGA_H
#define JDFTX_FLUID_IDEALGASPOMEGA_H

#include <fluid/IdealGas.h>
#include <fluid/SO3quad.h>
#include <fluid/TranslationOperator.h>
#include <core/VectorField.h>

class IdealGasPomega : public IdealGas
{
public:
        IdealGasPomega(const FluidMixture*, const FluidComponent*, const SO3quad& quad, const TranslationOperator& trans, unsigned nIndepOverride=0);

        void initState(const ScalarField* Vex, ScalarField* indep, double scale, double Elo, double Ehi) const;
        void getDensities(const ScalarField* indep, ScalarField* N, vector3<>& P0) const;
        double compute(const ScalarField* indep, const ScalarField* N, ScalarField* Phi_N, const double Nscale, double& Phi_Nscale) const;
        void convertGradients(const ScalarField* indep, const ScalarField* N, const ScalarField* Phi_N, const vector3<>& Phi_P0, ScalarField* Phi_indep, const double Nscale) const;

protected:
        const SO3quad& quad; 
        const TranslationOperator& trans; 
        vector3<> pMol; 
        int oStart, oStop; 
        
        virtual string representationName() const;
        
        //These functions are called once for each orientation:
        virtual void initState_o(int o, const matrix3<>& rot, double scale, const ScalarField& Eo, ScalarField* state) const;
        virtual void getDensities_o(int o, const matrix3<>& rot, const ScalarField* state, ScalarField& logPomega_o) const;
        virtual void convertGradients_o(int o, const matrix3<>& rot, const ScalarField& Phi_logPomega_o, ScalarField* Phi_state) const;
        
private:
        double S; 
        double Ecorr; VectorField Ecorr_P; 
};

#endif // JDFTX_FLUID_IDEALGASPOMEGA_H