structuretoolkit.analyse.spatial.create_gridpoints

structuretoolkit.analyse.spatial.create_gridpoints(structure: Atoms, n_gridpoints_per_angstrom: int = 5) → ndarray

Create grid points within the structure.

Parameters:

• structure (Atoms) – The atomic structure.

• n_gridpoints_per_angstrom (int) – Number of grid points per angstrom.

Returns:

The grid points.

Return type:

np.ndarray