cube module
- class cube.cube_data(fname=None)
Bases:
object
This includes methods to read cube files and perform a set of operations on them, e.g., squaring, integrating a cube file
- calc_ipr()
Calculates inverse participation ratio (IPR)
- read_cube_file(fname)
Method to read cube file.
Argument: fname => filename
- power_cube(power=2, integrate=True)
Function to raise cube data to a power. Squares cube data by default. And to integrate the new data
- cube_integrate(data=None)
Integrate the entire cube data.
- cube.cube_multiplication(files)
This function multiplies the cube files that are supplied as arguments.
Arguments: files = A list of file names.
- cube.overlap_integral(files)
Calculates the overlap integral between two cube files
Arguments: files = A list of two file names.