Searched refs:to_uncontracted_cartesian_basis (Results 1 – 4 of 4) sorted by relevance
902 pmol, ctr_coeff = mol0.to_uncontracted_cartesian_basis()908 pmol, ctr_coeff = mol0.to_uncontracted_cartesian_basis()
15 pcell, contr_coeff = cell.to_uncontracted_cartesian_basis()
535 t_cell, t_coeff = t_cell.to_uncontracted_cartesian_basis()820 t_cell, t_coeff = t_cell.to_uncontracted_cartesian_basis()898 t_cell, t_coeff = t_cell.to_uncontracted_cartesian_basis()
512 def to_uncontracted_cartesian_basis(mol): function3396 to_uncontracted_cartesian_basis = to_uncontracted_cartesian_basis variable in Mole