pyvista.GaussianCubeReader

class GaussianCubeReader(*args, **kwargs)

GaussianCubeReader for .cube files.

Examples

>>> import pyvista as pv
>>> from pyvista import examples
>>> from pathlib import Path

>>> filename = examples.download_m4_total_density(load=False)
>>> Path(filename).name
'm4_TotalDensity.cube'

Methods

GaussianCubeReader.read([grid])

Read the file and return the output.

Attributes

GaussianCubeReader.b_scale	Get the scaling factor to compute bonds between non-hydrogen atoms.
GaussianCubeReader.hb_scale	Get the scaling factor to compute bonds with hydrogen atoms.