Tutorials

The following tutorials are available either as html or interactive jupyter notebooks.

• Methane: Compounds and bonds
• Ethane: Reading from files, Ports and coordinate transforms
• Monolayer: Complex hierarchies, patterns, tiling and writing to files
• Point Particles: Basic system initialization
• Building a Simple Alkane
  • Setting up the monomer
  • Defining the polymerization class
  • Using mBuild’s Polymer Class
  • Building a Simple Hexane
  • Using Multiple Monomers and Capping the Ends of a Polymer
  • Building a System of Alkanes
  • Variations
• Lattice Tutorial
  • Lattice Functionality
  • Lattice Data Structure Introduction
  • Lattice Public Methods
  • Example Lattice Systems
    • Simple Cubic (SC)
    • Body-centered Cubic (BCC)
    • Face-centered Cubic (FCC)
    • Diamond (Cubic)
    • Graphene (2D)