Used to calculate the Ewald real-space sum. Corresponds to equation (5) in https://doi.org/10.1016/0010-4655(96)00016-1 Args

Perform the reciprocal space summation. Uses the fastest non mesh-based method described as given by equation (16) in https:/

Calculates the constant part of the Ewald sum matrix. The constant part contains the correction for the self-interaction between the

Takes a coulomb matrix as input. Returns L2 norm of each row / column in a 1D-array. Args: matrix(np.ndarray): The matrix

Used to determine an appropriate r_cut based on where the given weighting function setup.

Tests whether the descriptor output is invariant to permutation of atom indexing.

Tests whether the descriptor output is invariant to rotations of the original system.

Tests whether the descriptor output is invariant to translations of the original system. Args: create(function): A function that when