ThreeCenterBond

class emmet.core.molecules.orbitals.ThreeCenterBond(index, number, atom1_index, atom2_index, atom3_index, atom1_s_character, atom2_s_character, atom3_s_character, atom1_p_character, atom2_p_character, atom3_p_character, atom1_d_character, atom2_d_character, atom3_d_character, atom1_f_character, atom2_f_character, atom3_f_character, atom1_polarization, atom2_polarization, atom3_polarization, atom1_polarization_coeff, atom2_polarization_coeff, atom3_polarization_coeff, occupancy, type_code)

Bases: MSONable

Parameters:

• index (int)

• number (int)

• atom1_index (int)

• atom2_index (int)

• atom3_index (int)

• atom1_s_character (float)

• atom2_s_character (float)

• atom3_s_character (float)

• atom1_p_character (float)

• atom2_p_character (float)

• atom3_p_character (float)

• atom1_d_character (float)

• atom2_d_character (float)

• atom3_d_character (float)

• atom1_f_character (float)

• atom2_f_character (float)

• atom3_f_character (float)

• atom1_polarization (float)

• atom2_polarization (float)

• atom3_polarization (float)

• atom1_polarization_coeff (float)

• atom2_polarization_coeff (float)

• atom3_polarization_coeff (float)

• occupancy (float)

• type_code (str)