ExCorr_OrbitalDep_GLLBsc.h

/*-------------------------------------------------------------------
Copyright 2014 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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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_ELECTRONIC_EXCORR_ORBITALDEP_GLLBSC_H
#define JDFTX_ELECTRONIC_EXCORR_ORBITALDEP_GLLBSC_H

#include <electronic/ExCorr.h>

struct ExCorr_OrbitalDep_GLLBsc : public ExCorr::OrbitalDep
{       ExCorr_OrbitalDep_GLLBsc(const Everything&);
        bool ignore_nCore() const { return true; }
        ScalarFieldArray getPotential() const;
        void dump() const;
private:
        double T; //smearing width
        std::vector<double> getExtremalEnergy(bool HOMO) const; 
        ScalarFieldArray getPotential(std::vector<double> eHOMO, std::vector<double>* eLUMO=0) const; 
};

#endif //JDFTX_ELECTRONIC_EXCORR_ORBITALDEP_GLLBSC_H