Public API
- class pointgroup.PointGroup(positions, symbols, tolerance_eig=0.01, tolerance_ang=4)[source]
Point group main class
- get_point_group()[source]
get the point symmetry group symbol
- Returns:
the point symmetry group symbol
- get_principal_axis_of_inertia()[source]
get the principal axis of inertia in rows in increasing order of momenta of inertia
- Returns:
the principal axis of inertia