patom.h

An object-oriented C++ implementation of Davidson method for finding a few selected extreme eigenpai

#ifndef pAtomH
#define pAtomH


#include "../davidson/defaulttd.h"
#include "../davidson/potentialbase.h"

class PotentialAtom: public PotentialBase
{
    private:

    	//radius of atomic nucleus  and depth
    	ftyp a, V0;

        //returns value of potential Coulomb (1D, 2D, 3D)
        ftyp VCoulomb(const ftyp &) const; //1D
        ftyp VCoulomb(const ftyp &, const ftyp &) const;  //2D
        ftyp VCoulomb(const ftyp &, const ftyp &, const ftyp &) const; //3D

    public:

    	PotentialAtom(const ftyp &, const ftyp &);

        //sets a and V0
        void SetAV0(const ftyp &, const ftyp &);

        //get V0
        ftyp GetV0() const;
        //get a
        ftyp GetA() const;

        //returns V(x)
        ftyp operator()(const ftyp &) const;

        //returns V(x,y)
        ftyp operator()(const ftyp &, const ftyp &) const;

        //returns V(x,y,z)
        ftyp operator()(const ftyp &, const ftyp &, const ftyp &) const;
};

#endif