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VisBAR

  • Openness:3 ★★★
  • Document quality:2 ★★☆
A set of Python scripts for post-simulation data analysis of large-scale electronic state calculations. Currently the open script is ‘VisBAR Wave Batch’ that visualizes many wavefunctions, as isosurfaces, simultaneously. The script generates picture files in PNG and other formats from grid data files in the Gaussian cube format. Many data files can be treated in parallelism by MPI.

Information
Last Update:2021/03/06

Official site

https://github.com/visbar/

License

MIT License
Availability The script requires the free visualization module of Visualization Tool Kit.
Core Developers Takeo Hoshi, Hiroto Imachi ( Tottori University, Department of Applied Mathematics and Physics )
Methodology Visualization of wave function from Gaussian Cube formatted file
Related App
Related keywords
Document T. Hoshi, Y. Akiyama, T. Tanaka and T. Ohno, 'Ten-million-atom electronic structure calculations on the K computer with a massively parallel order-N theory', J. Phys. Soc. Jpn. 82, 023710, 4pp (2013)
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