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)