structuretoolkit.analyse.snap.get_sum_quad#
- structuretoolkit.analyse.snap.get_sum_quad(linear_sum: ndarray) ndarray[source]#
Calculate quadratic SNAP descriptors from the linear SNAP descriptors, by multiplying the individual components of the SNAP descriptors.
- Parameters:
linear_sum (np.ndarray) – Numpy array of the linear SNAP descriptors
- Returns:
Numpy array of the quadratic SNAP descriptors
- Return type:
np.ndarray