Subpackage/module Reference

SKPAR currently includes the following sub-packages:

core	the core modules realising the optimisation framework
dftbutils	the modules related to a DFTB model

• core sub-package modules
  • Main Program (skpar.core.skpar)
  • Input handler (skpar.core.input)
  • Tasks (skpar.core.tasks)
  • Task Dictionary (skpar.core.taskdict)
  • Objectives (skpar.core.objectives)
  • Query (skpar.core.query)
  • Evaluator (skpar.core.evaluate)
  • Optimiser (skpar.core.optimise)
  • Parameters (skpar.core.parameters)
  • PSO (skpar.core.pso)
    • Particle Swarm Optimizer (PSO)
      • Particles
      • Particle normalisaton/re-normalisation
      • Particle Swarm
  • Utilities (skpar.core.utils)
• dftbutils sub-package
  • Run BS (skpar.dftbutils.runBS)
  • Query DFTB (skpar.dftbutils.queryDFTB)
  • Query k-Lines (skpar.dftbutils.querykLines)
  • Lattice (skpar.dftbutils.lattice)
  • Plot (skpar.dftbutils.plot)
  • Unils (skpar.dftbutils.utils)