perturbopy.postproc.utils.lattice

Functions

compute_distances	Method to compute the distances between points
convert_path2point	Method to find the point corresponding to a path coordinate
convert_point2path	Method to find the path coordinate corresponding to a particular point
cryst2cart	Method to convert points in real space or reciprocal space between crystal and cartesian coordinates, given the crystal lattice.
find_point	Method to find the index or indices of a particular point in an array of points.
reshape_points	Method to reshape reciprocal points into a 2d array of shape (3, N) such that reciprocal points are column-oriented - a list of reciprocal points will be transformed to an array - an array of reciprocal points with shape (N, 3) will be reshaped to shape (3, N) if N != 3 - Note that reciprocal points with shape (3, 3) will be assumed to have the correct shape