LonePair

class emmet.core.molecules.orbitals.LonePair(index, number, atom_index, s_character, p_character, d_character, f_character, occupancy, type_code)

Bases: MSONable

Parameters:

• index (int)

• number (int)

• atom_index (int)

• s_character (float)

• p_character (float)

• d_character (float)

• f_character (float)

• occupancy (float)

• type_code (str)