perturbopy.postproc.utils.lattice.convert_point2path

perturbopy.postproc.utils.lattice.convert_point2path(point, point_array, path_array, max_dist=0.025, nearest=True)

Method to find the path coordinate corresponding to a particular point

Parameters:
  • point (array_like) – The point to be converted to a path coordinate

  • point_array (array_like) – A set of points

  • path_array (array_like) – The path corresponding to the points

  • max_dist (float, optional) – The maximum distance between the point to locate and the matching points

  • nearest (bool, optional) – If True, only the nearest point, or points in the case of repeated points, are returned (even if other points are within the max_dist)

Returns:

path_coord – The path coordinate(s) of the corresponding reciprocal space point(s)

Return type:

array