Quadrature for SO(3) More...
#include <SO3quad.h>
| Public Member Functions | |
| SO3quad (const S2quad &, const Molecule &molecule) | |
| Initialize SO3 quadrature from an S2 quadrature decsription, reduced by symmetries of the given molecule. | |
| SO3quad (S2quadType type, const Molecule &molecule, unsigned nBeta=0, unsigned nAlpha=0, unsigned nGamma=0) | |
| void | print () | 
| Summarize euler angles and weights for the quadrature. | |
| int | nOrientations () const | 
| get cardinality of sampling set | |
| vector3 | euler (int iOrientation) const | 
| get euler angles for the iOrientation'th node | |
| double | weight (int iOrientation) const | 
| get weight for the iOrientation'th node | |
Quadrature for SO(3)
| SO3quad::SO3quad | ( | S2quadType | type, | 
| const Molecule & | molecule, | ||
| unsigned | nBeta = 0, | ||
| unsigned | nAlpha = 0, | ||
| unsigned | nGamma = 0 | ||
| ) | 
Initialize SO3 quadrature from an S2 quadrature name, reduced by symmetries of the given molecule (nBeta, nAlpha and nGamma are used only for Euler quadrature)