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RadialSchrodinger::Outputs Struct Reference

Optional outputs from compute: retrieve all non-null quantities. More...

#include <RadialSchrodinger.h>

Public Member Functions

 Outputs (std::vector< double > *n=0, std::vector< double > *Dn=0, std::vector< double > *tau=0, std::vector< std::vector< std::vector< complex > > > *z=0, std::vector< std::vector< double > > *E=0)
 

Public Attributes

std::vector< double > * n
 electron density
 
std::vector< double > * Dn
 density gradient (radial direction, others 0 by symmetry)
 
std::vector< double > * tau
 kinetic energy density
 
std::vector< std::vector
< std::vector< complex > > > * 		z
 eigenfunctions indexed by l and nNodes. Each z = (u, u') (See schEqn)
 
std::vector< std::vector
< double > > * 		E
 eigenvalues indexed by l and nNodes
 

Detailed Description

Optional outputs from compute: retrieve all non-null quantities.

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