Embedded Files
TensorView
TensorView
TensorView is a Mathematica (and now MATLAB) tool for visualizing second-rank Cartesian tensors within the molecular framework, taking as input the molecular coordinates and tensor components from a first-principles calculation. This package makes use of the graphical interface and built‐in molecular display functionality present within the Mathematica programming environment and is robust for displaying tensor properties from a broad range of commercial and user‐specific computational chemistry packages. Two mathematical forms for representing tensor interaction surfaces are supported, the popular ellipsoidal construct and the more technically correct “ovaloid” form.
Requirements: A working copy of Mathematica is required to make full use of the TensorView.nb notebook, while the free Wolfram CDF player can be used to view it. The MATLAB version can be run without a license.
Acknowledgements: For work making use of images created within this or modified versions of this notebook, or that make use of original ideas and equations presented therein, please cite the following articles:
R.P. Young, C.R. Lewis, C. Yang, L. Wang, J.K. Harper, and L.J. Mueller, "TensorView: A Software Tool for Displaying NMR Tensors," Magnetic Resonance in Chemistry, 57, 211-223 (2019)
L. Svenningsson and L.J. Mueller, "TensorView for MATLAB: Visualizing tensors with Euler angle decoding," Solid State Nuclear Magnetic Resonance, 123, 101849 (2023)
Report abuse