sirius::Bound_state Class Reference

Inherits sirius::Radial_solver.

Public Member Functions
	Bound_state (relativity_t rel__, int zn__, int n__, int l__, int k__, Radial_grid< double > const &radial_grid__, std::vector< double > const &v__, double enu_start__)
double	enu () const
Spline< double > const &	rho () const
	Return charge density, corresponding to a radial solution. More...
Spline< double > const &	u () const
	Return radial function. More...
Spline< double > const &	p () const
	Return radial function multiplied by x. More...
std::vector< double > const &	dpdr () const
Public Member Functions inherited from sirius::Radial_solver
	Radial_solver (int zn__, std::vector< double > const &v__, Radial_grid< double > const &radial_grid__)
std::tuple< int, std::vector< double >, std::vector< double >, std::vector< double >, std::vector< double > >	solve (relativity_t rel__, int dme__, int l__, int k__, double enu__) const
int	solve (relativity_t rel__, int dme__, int l__, double enu__, std::vector< double > &p__, std::vector< double > &rdudr__, std::array< double, 2 > &uderiv__) const
	Integrates the radial equation for a given energy and finds the m-th energy derivative of the radial solution. More...
int	num_points () const
int	zn () const
double	radial_grid (int i__) const
Radial_grid< double > const &	radial_grid () const

Private Member Functions
void	solve (relativity_t rel__, double enu_start__)

Private Attributes
int	n_
int	l_
int	k_
double	enu_tolerance_
	Tolerance of bound state energy. More...
double	enu_
Spline< double >	p_
Spline< double >	q_
Spline< double >	u_
Spline< double >	rdudr_
Spline< double >	rho_
std::vector< double >	dpdr_

Additional Inherited Members
Protected Member Functions inherited from sirius::Radial_solver
template<relativity_t rel, bool prevent_overflow>
int	integrate_forward_rk4 (double enu__, int l__, int k__, Spline< double > const &chi_p__, Spline< double > const &chi_q__, std::vector< double > &p__, std::vector< double > &dpdr__, std::vector< double > &q__, std::vector< double > &dqdr__) const
	Integrate system of two first-order differential equations forward starting from the origin. More...
Protected Attributes inherited from sirius::Radial_solver
int	zn_
	Positive charge of the nucleus. More...
Radial_grid< double > const &	radial_grid_
	Radial grid. More...
Spline< double >	ve_
	Electronic part of potential. More...

Detailed Description

Definition at line 832 of file radial_solver.hpp.

Constructor & Destructor Documentation

Bound_state()

sirius::Bound_state::Bound_state ( relativity_t  rel__, int  zn__, int  n__, int  l__, int  k__, Radial_grid< double > const &  radial_grid__, std::vector< double > const &  v__, double  enu_start__  )

inline

Definition at line 1005 of file radial_solver.hpp.

Member Function Documentation

solve()

void sirius::Bound_state::solve ( relativity_t  rel__, double  enu_start__  )

inlineprivate

Definition at line 858 of file radial_solver.hpp.

enu()

double sirius::Bound_state::enu ( ) const

inline

Definition at line 1021 of file radial_solver.hpp.

rho()

Spline< double > const & sirius::Bound_state::rho ( ) const

inline

Return charge density, corresponding to a radial solution.

Definition at line 1027 of file radial_solver.hpp.

u()

Spline< double > const & sirius::Bound_state::u ( ) const

inline

Return radial function.

Definition at line 1033 of file radial_solver.hpp.

p()

Spline< double > const & sirius::Bound_state::p ( ) const

inline

Return radial function multiplied by x.

Definition at line 1039 of file radial_solver.hpp.

dpdr()

std::vector< double > const & sirius::Bound_state::dpdr ( ) const

inline

Definition at line 1044 of file radial_solver.hpp.

Member Data Documentation

n_

int sirius::Bound_state::n_

private

Definition at line 835 of file radial_solver.hpp.

l_

int sirius::Bound_state::l_

private

Definition at line 837 of file radial_solver.hpp.

k_

int sirius::Bound_state::k_

private

Definition at line 839 of file radial_solver.hpp.

enu_tolerance_

double sirius::Bound_state::enu_tolerance_

private

Tolerance of bound state energy.

Definition at line 842 of file radial_solver.hpp.

enu_

double sirius::Bound_state::enu_

private

Definition at line 844 of file radial_solver.hpp.

p_

Spline<double> sirius::Bound_state::p_

private

Definition at line 846 of file radial_solver.hpp.

q_

Spline<double> sirius::Bound_state::q_

private

Definition at line 848 of file radial_solver.hpp.

u_

Spline<double> sirius::Bound_state::u_

private

Definition at line 850 of file radial_solver.hpp.

rdudr_

Spline<double> sirius::Bound_state::rdudr_

private

Definition at line 852 of file radial_solver.hpp.

rho_

Spline<double> sirius::Bound_state::rho_

private

Definition at line 854 of file radial_solver.hpp.

dpdr_

std::vector<double> sirius::Bound_state::dpdr_

private

Definition at line 856 of file radial_solver.hpp.

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The documentation for this class was generated from the following file:

• radial_solver.hpp