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Getting Started
How-To Guide
Background Information
User Guide

GitHub
Twitter

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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