Skip to main content
Ctrl+K

xTB

  • Getting Started
  • User Guide
  • Developer Documentation
  • API Documentation
    • Development Team
    • History
    • Main SEAMM documentation
    • SEAMM Documentation
    • MolSSI
  • GitHub
  • Twitter
  • Getting Started
  • User Guide
  • Developer Documentation
  • API Documentation
  • Development Team
  • History
  • Main SEAMM documentation
  • SEAMM Documentation
  • MolSSI
  • GitHub
  • Twitter

Section Navigation

  • Installation
  • Usage
  • Contributing
  • Campaigns
    • 2026-05-02 Initial development campaign
      • xtb_step v1 – Scope Document
      • xtb_step Phase A – File Drop Notes
      • xtb_step Phase B – File Drop Notes
      • xtb_step Phase C – xTBParameters Fix Drop – File Drop Notes
      • xtb_step Phase D – File Drop Notes
      • xtb_step Phase E – File Drop Notes
      • xtb_step Phase F – File Drop Notes
      • xtb_step Phase G – File Drop Notes
      • xtb_step Phase H – File Drop Notes
      • xtb_step Phase I – File Drop Notes
      • xtb_step Installer Drop – File Drop Notes
    • LAMMPS + MOPAC/xTB QM-MD via MDI (xTB engine side)
      • xTB MDI engine – drive LAMMPS MD with tblite over MDI
  • Developer Documentation

Developer Documentation#

Contents:

  • Installation
    • Stable release
    • From sources
  • Usage
  • Contributing
    • Types of Contributions
    • Get Started!
    • Pull Request Guidelines
    • Tips

Campaigns#

Notes for development campaigns

  • Campaigns
    • 2026-05-02 Initial development campaign
    • LAMMPS + MOPAC/xTB QM-MD via MDI (xTB engine side)

Indices and tables#

  • Index

  • Module Index

  • Search Page

previous

Results

next

Installation
On this page
  • Campaigns
  • Indices and tables
Show Source

Built with the PyData Sphinx Theme 0.19.0.