sirius::ps_atomic_wf_descriptor Struct Reference

Store basic information about radial pseudo wave-functions. More...

#include <atom_type.hpp>

Public Member Functions
	ps_atomic_wf_descriptor (int n__, angular_momentum am__, double occ__, Spline< double > f__)
	Constructor. More...

Public Attributes
int	n
	Principal quantum number. More...
angular_momentum	am
	Angular momentum quantum number. More...
double	occ
	Shell occupancy. More...
Spline< double >	f
	Radial wave-function. More...

Detailed Description

Store basic information about radial pseudo wave-functions.

Definition at line 60 of file atom_type.hpp.

Constructor & Destructor Documentation

ps_atomic_wf_descriptor()

sirius::ps_atomic_wf_descriptor::ps_atomic_wf_descriptor ( int  n__, angular_momentum  am__, double  occ__, Spline< double >  f__  )

inline

Constructor.

Definition at line 63 of file atom_type.hpp.

Member Data Documentation

n

int sirius::ps_atomic_wf_descriptor::n

Principal quantum number.

Definition at line 71 of file atom_type.hpp.

am

angular_momentum sirius::ps_atomic_wf_descriptor::am

Angular momentum quantum number.

Definition at line 73 of file atom_type.hpp.

occ

double sirius::ps_atomic_wf_descriptor::occ

Shell occupancy.

Definition at line 75 of file atom_type.hpp.

f

Spline<double> sirius::ps_atomic_wf_descriptor::f

Radial wave-function.

Definition at line 77 of file atom_type.hpp.

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

• atom_type.hpp