connected_images

ifermi.analysis.connected_images(fractional_vertices, tol=1e-05)[source]

Find the images a set of vertices is connected to.

Note: This function expects the vertices to only belong to a single connected mesh, and the vertices should cover a 3x3x3 supercell, where the coordinates from -0.5 to 0.5 indicate the center image.

Parameters:
  • fractional_vertices (ndarray) – A (n, 3) float array of the vertices in the isosurface in fractional coordinates.

  • tol – A tolerance for evaluating whether two vertices are equivalent.

Return type:

list[tuple[int, int, int]]

Returns:

A (n, 3) int array of the images across which the mesh is connected periodically.