ChemTraYzer - Chemical Trajectory AnalYzer

Contents

• Quickstart Guide
• Installation Instructions
  • Prerequisites
  • Normal Installation

Code Reference

• engine package
  • engine.investigation
  • engine.jobsystem
  • engine.testing
  • engine.cmdtools
  • engine._serialization
  • engine._event
• core package
  • core.constants
  • core.chemid
  • core.coords
  • core.database
  • core.graph
  • core.kinetics
  • core.lot
  • core.md
• jobs package
  • jobs.mdbox
  • jobs.ams
  • jobs.lammps
• models package
  • models.kineticfits
• reaction_sampling package
  • reaction_sampling.reaction_detection
  • reaction_sampling.reaction_sampling_investigation

About

• Changelog
  • 3.0.0.b3 (2024-09-18)
  • 3.0.0b2 (2024-05-07)
  • 3.0.0b0 (2024-04-10)
• Citation and Credits
  • Acknowledgements
  • Authors of ChemTraYzer
  • License
  • References

Note

ChemTraYzer 3 is currently in beta version. We have not extensively tested this implementation on real systems. We do not provide a warranty of any kind.

Note

This documentation is also under development:

Indices and tables

• Index

• Module Index

• Search Page