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SEAMM 1.0 documentation - Home

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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
  • GitHub
  • Twitter

Site Navigation

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

Section Navigation

  • Analysis
    • Geometry Analysis
  • Building
    • Crystal Builder
    • From SMILES
    • PACKMOL
    • Set Cell
    • Strain
    • Supercell
  • Control
    • Control Parameters
    • Loop
  • Custom
    • Custom
  • Data
    • QCArchive
    • Read Structure
    • System
    • Table
  • Featurizers
    • RDKit
  • Properties
    • Diffusivity
    • Thermal Conductivity
  • Simulations
    • DFTB+
    • Gaussian
    • LAMMPS
    • MOPAC
    • Psi4
    • QuickMin
    • TorchANI
  • Plug-ins
  • Simulations

Simulations#

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

  • DFTB+
  • Gaussian
  • LAMMPS
  • MOPAC
  • Psi4
  • QuickMin
  • TorchANI

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© Copyright 2019-2023 The Molecular Sciences Software Institute

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

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