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  • Getting Started
  • How-To Guide
  • Background Information
  • User Guide
  • Developers Documentation
  • Glossary
  • Plug-ins
  • Status
  • Statistics
  • SEAMM Developers
  • Acknowledgements
  • SEAMM Documentation
  • MolSSI

Site Navigation

  • Getting Started
  • How-To Guide
  • Background Information
  • User Guide
  • Developers Documentation
  • Glossary
  • Plug-ins
  • Status
  • Statistics
  • SEAMM Developers
  • Acknowledgements
  • SEAMM Documentation
  • MolSSI

Section Navigation

  • Analysis
    • Geometry Analysis
  • Building
    • Crystal Builder
    • From SMILES
    • PACKMOL
    • Set Cell
    • Strain
    • Supercell
  • Control
    • Control Parameters
    • Loop
  • Data
    • Read Structure
    • Table
    • System
  • Simulations
    • DFTB+
    • LAMMPS
    • MOPAC
    • Psi4
    • QuickMin

Simulations#

These plug-ins provide the molecular simulations at the heart of SEAMM:

  • DFTB+
  • LAMMPS
  • MOPAC
  • Psi4
  • QuickMin

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© Copyright 2019-2023 The Molecular Sciences Software Institute

Funded by the National Science Foundation OAC-1547580 and CHE-2136142.

The NSF