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docs/src/fitting-eft.md

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@@ -17,7 +17,7 @@ fdata = Dict("train" => rdata[1:n_train],
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```
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## Specify the Friction Model
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Next, we specify the matrix models that will make up our friction model. In this case we only specify the single matrix model `m_equ`, which being of the type `RWCMatrixModel` is based on a row-wise coupling.
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Next, we specify the matrix models that will make up our friction model. In this case we only specify the single matrix model `m_equ`, which being of the type [RWCMatrixModel](@ref) is based on a row-wise coupling. Alternative for building a friction model with a pairwise coupling is provided in [the last of section of this working example](@ref fitting-pairwise-coupling).
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```julia
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property = EuclideanMatrix()
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species_friction = [:H]
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R = randf(fm,Σ)
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```
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## [Friction Model with a Pairwise Coupling](@id fitting-pairwise-coupling)
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Instead of using a row-wise coupling, we can also use a pairwise coupling to construct a friction model. The following code produces a friction model with a pairwise coupling:
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```julia
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property = EuclideanMatrix()
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species_friction = [:H]
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species_env = [:Cu]
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m_equ = RWCMatrixModel(property, species_friction, species_env;
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species_substrat = [:Cu],
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rcut = 5.0,
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maxorder = 2,
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maxdeg = 5,
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);
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m_equ = PWCMatrixModel(property, species_friction, species_env;
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z2sym = NoZ2Sym(),
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speciescoupling = SpeciesUnCoupled(),
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species_substrat = [:Cu],
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n_rep = 1,
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maxorder=2,
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maxdeg=5,
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rcut= 5.0,
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);
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m_equ0 = OnsiteOnlyMatrixModel(property, species_friction, species_env;
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species_substrat=[:Cu],
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id=:equ0,
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n_rep = 1,
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rcut = rcut,
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maxorder=2,
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maxdeg=5
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);
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fm= FrictionModel((mequ_off = m_equ, mequ_on=m_equ0));
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```

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