Modules

Modules in Onsager code for automated computation of diffusivity for interstitial and vacancy mediated diffusion.

• Crystal
  • CombineTensorBasis()
  • CombineVectorBasis()
  • Crystal
  • FourthRankIsotropic()
  • GroupOp
  • ProjectTensorBasis()
  • SymmTensorBasis()
  • VectorBasis()
  • Voigtstrain()
  • gcdlist()
  • incell()
  • inhalf()
  • isotropicFourthRank()
  • maptranslation()
  • ndarray_representer()
• CrystalStars
  • PSlist2array()
  • PairState
  • StarSet
  • VectorStarSet
  • array2PSlist()
  • doublelist2flatlistindex()
  • flatlistindex2doublelist()
  • zeroclean()
• Supercell
  • ClusterSupercell
  • Supercell
• Cluster
  • Cluster
  • ClusterSite
  • MonteCarloSampler
  • MonteCarloSampler_jit
  • MonteCarloSampler_param()
  • makeTSclusters()
  • makeVacancyClusters()
  • makeclusters()
• PowerExpansion
  • Taylor2D
  • Taylor3D
• GFcalc
  • GFCrystalcalc
• OnsagerCalc
  • Interstitial
  • VacancyMediated
  • arrays2vTKdict()
  • vTKdict2arrays()
  • vacancyThermoKinetics
• Automator
  • map2string()
  • supercelltar()

• Module Index