Welcome to 2DMAT’s documentation!

Contents:

• Introduction
  • What is 2DMAT ?
  • License
  • Version Information
  • Main developers
• Install of py2dmat
  • Prerequisites
  • How to download and install
  • How to run
  • How to uninstall
• Tutorials
  • TRHEPD Direct Problem Solver
  • Optimization by Nelder-Mead method
  • Grid search
  • Optimization by Bayesian Optimization
  • Optimization by replica exchange Monte Carlo
  • Replica Exchange Monte Carlo search with limitation
  • Optimization by population annealing
  • Addition of a direct problem solver
• Input file
  • [base] section
  • [solver] section
  • [algorithm] section
  • [runner] section
  • [mapping] section
  • [limitation] section
  • [log] section
• Output files
  • Common file
• Search algorithms
  • Nelder-Mead method minsearch
  • Direct parallel search mapper
  • Replica exchange Monte Carlo exchange
  • Population Annealing Monte Carlo pamc
  • Bayse optimization bayes
• Direct Problem Solver
  • analytical solver
  • sim-trhepd-rheed solver
  • sxrd solver
  • leed solver
• Related Tools
  • py2dmat_neighborlist
  • tool/to_dft/to_dft.py
• (For developers) User-defined algorithm and solver
  • Commons
  • Solver
  • Algorithm
  • Usage
• Acknowledgements
• Contact