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OrbitalsOO.h
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OrbitalsOO.h
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/*
* File: OrbitalsOO.h
* Author: jorgehog
*
* Created on 26. juni 2012, 17:41
*/
#ifndef ORBITALSOO_H
#define ORBITALSOO_H
class Orbitals {
protected:
int n_p;
int n2;
int dim;
function** basis_functions;
function*** dell_basis_functions;
function** lapl_basis_functions;
public:
Orbitals(int n_p, int dim);
virtual double phi(const Walker* walker, int particle, int q_num) const = 0;
virtual double del_phi(const Walker* walker, int particle, int q_num, int d) const = 0;
virtual double lapl_phi(const Walker* walker, int particle, int q_num) const = 0;
};
class oscillator_basis : public Orbitals {
private:
double alpha;
double w;
public:
oscillator_basis(int n_p, int dim, double alpha, double w = 1.0);
virtual double phi(const Walker* walker, int particle, int q_num) const;
virtual double del_phi(const Walker* walker, int particle, int q_num, int d) const;
virtual double lapl_phi(const Walker* walker, int particle, int q_num) const;
};
#endif /* ORBITALSOO_H */