isosurface_dimensionality

ifermi.analysis.isosurface_dimensionality(fractional_vertices, faces)[source]

Calculate isosurface properties a single isosurface (fully connected).

The vertices must cover a 3x3x3 supercell and must not have been trimmed to fit inside the reciprocal lattice.

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.

  • faces (ndarray) – A (m, 3) int array of the faces of the isosurface.

Return type:

tuple[str, tuple[int, int, int]]

Returns:

The dimensionality and (n, 3) int array orientation of the isosurface.