JDFTx  1.7.0
DOS::Weight::OrbitalDesc Struct Reference

Public Member Functions

 OrbitalDesc (int l=0, int m=0, int s=0, SpinType spinType=SpinNone)
void parse (string desc)
 set values from a string (throws a string exception on invalid input)
 operator string () const
 convert to a string description
bool operator< (const OrbitalDesc &) const
 so that OrbitalDesc can be used as a key

Public Attributes

int l
int m
int s
unsigned n
 pseudo-atom quantum numbers (m = l+1 is used to signify total l-contribution)
SpinType spinType
 SpinOrbit => relativistic spec, SpinZ => Up/Dn, SpinNone => no spin (collinear) (Note different meanings from eInfo.spinType)

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