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 , |
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unsigned | nAlpha = 0 , |
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unsigned | nGamma = 0 |
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) |
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)