Namespace symmetry

Namespace containing symmetry detection and analysis functions.

Detailed Description

This namespace encapsulates all functions and classes related to molecular symmetry analysis, point group determination, and symmetry element detection.

Classes

• Struct SymmetryData

• Struct Vector3D

• Class SymmetryDetector

Functions

• Function symmetry::add_Cn

• Function symmetry::add_perm

• Function symmetry::add_SG

• Function symmetry::PG_determ

• Function symmetry::sym_elements

• Function symmetry::symclass

• Function symmetry::symm_check

• Function symmetry::symm_cmass

• Function symmetry::symm_crossp

• Function symmetry::symm_cshift

• Function symmetry::symm_dot

• Function symmetry::symm_igcd

• Function symmetry::symm_inversion

• Function symmetry::symm_point_group

• Function symmetry::symm_reflect

• Function symmetry::symm_rotate

• Function symmetry::symm_srotate