• Table of Contents
  1. CrySPY document > 
  2. Tutorial

Tutorial

Info
  • Beginners are encouraged to start with a random search.
  • Additional example files not included in the tutorials are also available in CrySPY utility.
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Table of Contents

  • Random Search (RS)
  • Evolutionary Algorithm (EA)
  • Variable-Composition Evolutionary Algorithm (EA-vc)
  • Bayesian Optimization (BO)
  • LAQA
  • Loading Initial Structures
  • Molecular Crystal Structure Prediction
  • Random Structure Generation with MPI
  • Interactive Mode (Jupyter Notebook)
CrySPY

  • Home


    • Version Information
      • Installation
        • Command
          • Tutorial
            • Random Search (RS)
              • Evolutionary Algorithm (EA)
                • Variable-Composition Evolutionary Algorithm (EA-vc)
                  • Bayesian Optimization (BO)
                  • LAQA
                  • Loading Initial Structures
                  • Molecular Crystal Structure Prediction
                  • Random Structure Generation with MPI
                  • Interactive Mode (Jupyter Notebook)
                • Interface
                • Search Algorithms
                  • Structure Generation
                    • Features
                      • Input File
                        • Data Format
                          • CrySPY Utility
                            • FAQ
                              • Logo
                              Link
                              • GitHub Repo
                              • GitHub Discussions
                              • CrySPY Utility

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