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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
  • Campaigns

Campaigns#

Contents:

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

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2026-05-02 Initial development campaign
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