JDFTx  1.7.0
S2quad Struct Referenceabstract

Abstract base class for a S2 quadrature definition (used to generate the SO3 qudarature) More...

#include <S2quad.h>

Inheritance diagram for S2quad:
EulerProduct Icosahedron Octahedron S2_10design_60 S2_11design_70 S2_12design_84 S2_13design_94 S2_14design_108 S2_15design_120 S2_16design_144 S2_17design_156 S2_18design_180 S2_19design_204 S2_20design_216 S2_21design_240 S2_7design_24 S2_8design_36 S2_9design_48 Tetrahedron

Public Member Functions

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

Public Attributes

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

void add (vector3<> n, double relWeight=1., double s1phase=0.)
 

Detailed Description

Abstract base class for a S2 quadrature definition (used to generate the SO3 qudarature)

Member Function Documentation

◆ add()

void S2quad::add ( vector3<>  n,
double  relWeight = 1.,
double  s1phase = 0. 
)
protected

Utility to add nodes, optionally modifying weights/S1 phases

Parameters
ndirection vector for node (need not be normalized)
relWeightrelative weight (weights will be normalized to add up to 1 automatically), uniform weights by default
s1phasePhase for the S1 part in going to SO(3) quadrature, 0 by default.

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