AtomicSystem.add_angle

AtomicSystem.add_angle(atom_list)

Add an angle between three atoms.

The angle type is derived from the atom types: the middle atom (atom_list[1]) stays in the center, and the two outer atom types are sorted alphabetically for a canonical, order-independent label.

Parameters:

atom_list

list of the indices of the three atoms in the angle, in the right order (middle atom in the center position).