The kmos data modelΒΆ

The guide explains how kmos handles represent a kmc model internally, which is important to know if one wants to write new functionality.

The different functions and front-ends of kmos all interact in some way or another with instances of the Project class. A Project instance is a representation of a kmc model. If you fire up ‘kmos edit’ with an xml file, kmos validates the XML file and stores the content in a Project instance. If you export source code, kmos runs over the Project and creates the necessary Fortran 90 source code.

So the following things are in a Project:

  • meta
  • lattice(layers)
  • species
  • parameters
  • processes

The language used here stems from modelling atomic movement on a fixed or evolving lattice like structure. In a more general context one may rephrase them as :

  • meta -> information about project
  • lattice -> geometry
  • species -> states
  • parameters
  • processes -> transitions