qpms_finite_group_t Struct Reference

A point group with its irreducible representations and some metadata. More...

#include <groups.h>

Collaboration diagram for qpms_finite_group_t:

Data Fields
char *	name
qpms_gmi_t	order
	Group order (number of elements)
qpms_gmi_t	idi
	Identity element index.
qpms_gmi_t *	mt
	Group multiplication table. If c = a*b, then ic = mt[order * ia + ib].
qpms_gmi_t *	invi
	Group elem inverse indices.
qpms_gmi_t *	gens
	A canonical set of group generators.
int	ngens
	Number of the generators in gens;.
qpms_permutation_t *	permrep
	Permutation representations of the elements.
char **	elemlabels
	Optional human readable labels for the group elements.
int	permrep_nelem
	Number of the elements over which the permutation representation acts.
struct qpms_irot3_t *	rep3d
	The quaternion representation of a 3D point group (if applicable).
qpms_iri_t	nirreps
	How many irreps does the group have.
struct qpms_finite_group_irrep_t *	irreps
	Irreducible representations of the group.

Detailed Description

A point group with its irreducible representations and some metadata.

The structure of the group is given by the multiplication table mt.

Each element of the group has its index from 0 to order. The metadata about some element are then accessed using that index.

All members are in principle optional except order and mt.

Note: after changing this struct, don't forget to update the Python method SVWFPointGroupInfo.generate_c_source().

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

• qpms/groups.h