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Getting started

  • SOD Overview
  • Installation

Running SOD

  • Enumerating the configurations
  • Calculator input files
  • Machine-learning potentials (sod_mace)
  • Configurational averages and thermodynamics

Alternatives to enumeration

  • Random sampling (randomsod)
  • Special Quasirandom Structures (SQS and GQS)
  • Constrained Periodic Motif Expansion (CPME) and Monte Carlo (MC)

Reference

  • Examples
  • Glossary
  • Citing SOD

Project links

  • GitHub repository
SOD
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