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Getting Started
User Guide
Developer Documentation
API Documentation
Development Team
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Main SEAMM documentation
SEAMM Documentation
MolSSI
System Settings
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GitHub
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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
Usage
Usage
#
To use the QuickMin Step in a project:
import
quickmin_step
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