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Contents:

  • Installation
  • Code overview
  • Tutorials
  • Special features
  • Options
  • User interface (API)
  • How to cite
  • Additional reading
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MonteCoffee DocumentationΒΆ

Welcome to the documentation of MonteCoffee!

For a general idea of what the code does and how it works, see Code overview.

For a minimal working example of how to perform kinetic Monte Carlo with MonteCoffee, see Quick start.

Contents:

  • Installation
    • Download
    • Setup
    • Dependencies
  • Code overview
    • What is kinetic Monte Carlo?
    • Structure of modules
    • Implicit assumptions
    • Code output
  • Tutorials
    • Quick start
    • Adsorption of atomic species A on surface
    • Dissociative Adsorption
    • Adsorption and reaction of species A and B2
    • CO oxidation on Pt(111)
    • Parallel simulations
    • Special site-rules
  • Special features
    • Accelerating kMC
    • Adsorbate-adsorbate interactions
    • Calculating a turnover frequency
    • Restarting your simulation
  • Options
  • User interface (API)
    • NeighborKMC package
  • How to cite
  • Additional reading
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© Copyright 2021, Division of Chemical Physics, Chalmers University of Technology Revision 53f93edb.

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