forte2.orbitals.cube

Module Contents

forte2.orbitals.cube.simple_grid(atoms, spacing: tuple[float, float, float], overage: tuple[float, float, float])

class forte2.orbitals.cube.Cube(spacing=0.2, overage=4.0)

Class to handle cube files.

spacing

overage

run(system, C, indices=None, prefix='orbital')