CoulombKernel.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
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_CORE_COULOMBKERNEL_H
#define JDFTX_CORE_COULOMBKERNEL_H

#include <core/WignerSeitz.h>
#include <core/matrix3.h>
#include <core/string.h>

struct CoulombKernel
{       const matrix3<> R; 
        const vector3<int> S; 
        const vector3<bool> isTruncated; 
        double omega; 
        
        CoulombKernel(const matrix3<> R, const vector3<int> S, const vector3<bool> isTruncated, double omega=0.);
        
        void compute(double* data, const WignerSeitz& ws) const;
        
        static const double nSigmasPerWidth; 
        
private:
        //Various indiviudally optimized cases of computeKernel:
        void computeIsolated(double* data, const WignerSeitz& ws) const; 
        void computeWire(double* data, const WignerSeitz& ws) const; 
};

#endif // JDFTX_CORE_COULOMBKERNEL_H