3.6.3. horton.io.cube – Gaussian cube file format

horton.io.cube.load_cube(filename)

Load data from a cube file

Arguments:

filename

The name of the cube file

Returns a dictionary with title, coordinates, numbers, cube_data, grid, pseudo_numbers.

horton.io.cube.dump_cube(filename, data)

Write a IOData to a .cube file.

Arguments:

filename

The name of the file to be written. This usually the extension “.cube”.

data

An IOData instance. Must contain coordinates, numbers, grid, cube_data. May contain title, pseudo_numbers.