KUSANAGI 4.0

KUSANAGI Computational Output File Parser KUSANAGI is a python based script, for the 3D visualization of Gaussian output files. The workflow includes: Check for imaginary frequencies. Generate new input files from loaded output coordinates. 3D visualization of Mulliken charges. 3D visualization of normalized spin densities. 3D visualization of Fermi hyperfine couplings, with the possibility to build averages over two or more atoms. For Gaussian and ORCA Outputs. Export of XYZ coordinates System requirements: Windows 10/11 (x64), ~1 GB free RAM; Python 3.10+. Acknowledgement: Development of KUSANAGI benefited from coding assistance and generative text suggestions provided by AI tools (OpenAI ChatGPT). All implementation, testing and integration descisions were carried out by the author. Author: Marcel Emir Baumert (independent development). Citation: Baumert, M. E. (2025). KUSANAGI: Computational Output File Parser [Python script]. Zenodo. https://doi.org/10.5281/zenodo.17514103