Welcome to scaks’s documentation!

Contents:

• Introduction
  • Why Micro-kinetic Model for Catalyst?
  • Why scaks?
• Installation
  • scaks Installation
  • scaks-Hub Installation
• Tutorial
  • Solve a micro-kinetic model
  • Solve model in scaks-Hub
  • Parse reaction expressions
  • Build a model in scaks-Hub
  • [Animation] Run a job in scaks-Hub
  • Register hybrid method for Hybrid Newton iteration
  • Define your own on-the-fly analysis plugin
• API
  • models.KineticModel
  • models.MicroKineticModel
  • parsers.rxn_parser
  • parsers.ParserBase
  • parsers.AbsoluteEnergyParser
  • parsers.RelativeEnergyParser
  • parsers.KMCParser
  • solvers.SolverBase
  • solvers.MeanFieldSolver
  • solvers.rootfinding_iterators
  • solvers.MeanFieldSolver
  • correctors.ThermodynamicCorrector
  • plotters.EnergyProfilePlotter
  • utilities.check_utilities
  • utilities.coordinate_utilities
  • utilities.format_utilities
  • datatabase.elements_data
  • datatabase.lattice_data
  • datatabase.thermo_data
  • descriptors.descriptors
  • descriptors.component_descriptors
  • mpicommons
  • plugins.hybrid_methods
  • plugins.analysis