symmetry.h File Reference

Abel Groups: C1, Ci, Cs, C2, C2v, C2h, D2 and D2h. More...

#include <string>
#include <vector>

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Classes
class	QCToolkit::Symmetry

Enumerations
enum class	QCToolkit::PointGroup { C1 , Cn , Ci , Cs }
	The class describing the point group symmetry. More...

Functions
PointGroup &	QCToolkit::operator>> (std::string in, PointGroup &pg)
	Read in Pointgroup. More...

Detailed Description

Abel Groups: C1, Ci, Cs, C2, C2v, C2h, D2 and D2h.

ATTENTION: The number of irreducible representations always starts from 1.