pyvista.GaussianCubeReader#
- class GaussianCubeReader(*args, **kwargs)[source]#
GaussianCubeReader for .cube files.
Examples
>>> import pyvista as pv >>> from pyvista import examples
>>> filename = examples.download_m4_total_density(load=False) >>> filename.split("/")[-1] # omit the path 'm4_TotalDensity.cube'
Methods
GaussianCubeReader.read
([grid])Read the file and return the output.
Attributes
Get the scaling factor to compute bonds between non-hydrogen atoms.
Get the scaling factor to compute bonds with hydrogen atoms.