=================================== Bond-orientational order parameters =================================== ``Frame.steinhardt(l)`` returns the local ``q_l`` and the Lechner-Dellago average for every atom. The neighbour list is the cutoff list. Degrees 3, 4, 6, 8, and 12 are computed. ``seams steinhardt`` uses the mutual four-nearest list, so its means on the mixed frame are not these means. The runnable copy is ``docs/tutorials/test_order_parameters.py``. .. code:: python import pydseams as ds frame = ds.read("input/traj/exampleTraj.lammpstrj", atom_type=2) q3 = frame.steinhardt(3) ``q3["ql"]`` and ``q3["ql_bar"]`` are the per-atom arrays. On this frame the finite means are about 0.374897 and 0.187542. The local parameter is .. math:: q_l(i) = \sqrt{\frac{4\pi}{2l+1} \sum_{m=-l}^{l} |q_{lm}(i)|^2} with .. math:: q_{lm}(i) = \frac{1}{N_b(i)} \sum_{j \in N(i)} Y_{lm}(\hat r_{ij}).