Welcome to THeSeuSS

THeSeuSS (THz Spectra Simulations Software) is an open source, advanced, automated Python platform designed to simulate IR, Raman and THz spectra for both periodic and non-periodic systems.

Contents

• About
  • How to cite THeSeuSS
  • Acknowledgements
• Installation
  • Requirements
  • Installation from PyPI
  • Installation from source
• Getting started
  • Input files
  • How to run THeSeuSS
  • Output files
• Tutorials
  • Calculation of the IR and Raman spectra for a water molecule (non-periodic system)
• Contributions & Help
  • Issue Reports
  • Code Contributions
• License
• Authors
• Changelog
  • Version 0.1
• Module Reference
  • THeSeuSS package

Indices and tables

• Index

• Module Index

• Search Page