A geometry, cube file, and vibrational modes viewer for Psi4 and Forte
Project description
fortecubeview
A simple cube file viewer based on pythreejs.
Installation
Using pip:
pip install fortecubeview
Dependencies
forte4cubeview requires pythreejs and scikit-image.
To install pythreejs via pip:
pip install pythreejs
To install pythreejs via conda:
conda install -c conda-forge pythreejs
conda install nodejs -c conda-forge --repodata-fn=repodata.json
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()
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