VTK Project: Chemistry Visualization

by David Lonie for Visualization Toolkit (VTK)

This project will result in a native implementation of tools to visualize molecular systems and electronic structure in VTK. If time permits, additional functionality such as plotting molecular orbital diagrams, visualizing spectroscopic tensors, animating geometry optimizations, rendering periodic crystal structures, etc will be added. Current and potential users of VTK in the chemistry field will be contacted, and their input will help guide the second half of the project.