fortecubeview 0.2.2

A geometry, cube file, and vibrational modes viewer for Psi4 and Forte

fortecubeview

A simple cube file viewer based on pythreejs.

Installation

Using pip:

pip install fortecubeview

Dependencies

forte4cubeview requires pythreejs.

To install pythreejs via pip:

pip install pythreejs

And then install the extension for jupyter notebooks

jupyter nbextension install --py --symlink --sys-prefix pythreejs
jupyter nbextension enable --py --sys-prefix pythreejs

Or for jupyter lab:

jupyter labextension install @jupyter-widgets/jupyterlab-manager 
jupyter labextension install jupyter-threejs

Getting started

Check out the example files in the fortecubeview/examples folder. From jupyter, the following will load and display all the cube files contained in the currrent working directory

    import fortecubeview
    fortecubeview.plot()