JDFTx  1.7.0
EulerProduct Class Reference

Outer-product quadrature on ZYZ euler angles. More...

#include <S2quad.h>

Inheritance diagram for EulerProduct:
S2quad

Public Member Functions

 EulerProduct (unsigned nBeta, unsigned nAlpha=0, unsigned nGamma=0)
 
int jMax () const
 max angular momentum that the S2 quadrature is exact to (will be checked)
 
int nS1 () const
 suggested number of samples for the S1 sector (will be rounded up to nearest multiple of Zn)
 
string name () const
 A short descriptive name for the S2 quadrature.
 

Additional Inherited Members

- Public Attributes inherited from S2quad
std::vector< vector3<> > euler
 list of S2 quadrature nodes in first two components with suggested S1 phase in third component
 
std::vector< double > weight
 suggested S2 quadrature weights (same length as euler, will be normalized to add up to 1)
 
- Protected Member Functions inherited from S2quad
void add (vector3<> n, double relWeight=1., double s1phase=0.)
 

Detailed Description

Outer-product quadrature on ZYZ euler angles.

Constructor & Destructor Documentation

◆ EulerProduct()

EulerProduct::EulerProduct ( unsigned  nBeta,
unsigned  nAlpha = 0,
unsigned  nGamma = 0 
)

Specify sampling along each auler angle

Parameters
nBetaNumber of Gauss-legendre samples in cos(beta) on [-1,1] (must be non-zero)
nAlphaNumber of uniform samples in alpha on [0,2pi) (taken to be 2*nBeta if 0)
nGammaNumber of uniform samples in gamma on [0,2pi) (taken to be 2*nBeta if 0) Note nGamma will be reduced by Zn symmetry in SO(3) quadrature generation

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