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.

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

• electronic/RadialSchrodinger.h