ACEfriction.FrictionModels.md

CurrentModule = ACEfriction.FrictionModels

A friction model is a wrapper around a named tuple of matrix models, i.e.

struct FrictionModel{MODEL_IDS} <: AbstractFrictionModel
    matrixmodels::NamedTuple{MODEL_IDS} 
end

The symbols contained in the tuple MODEL_IDS are referred to as "IDs" of the corresponding matrix models. When evaluated at an atomic configuration, the resulting friction tensor is the sum of the friction tensors of all matrix models in the friction model, whereas diffusion coefficient matrices are evaluated seperately for each matrix model and returned in the form of a named tuple of the same signature. The following functions act on structures of type FrictionModel:

Gamma

Sigma

randf

basis

Setter and getter functions for model parameters

params

nparams

set_params!

set_zero!