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1 parent 31b04be commit e168e04Copy full SHA for e168e04
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src/models.jl
@@ -215,7 +215,7 @@ end
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@inline function bond_potential(r2::T, model::GeneralKG) where T<:AbstractFloat
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u_fene = r2 ≤ model.r02 ? fene(r2, model.kr02, model.r02) : Inf
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u_lj = 0.0
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- if r2 ≤ cutoff2(model)
+ if r2 ≤ model.rcut2bond
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u_lj += lennard_jones(r2, model.ϵ4bond, model.σ2bond) - model.shiftbond
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end
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return u_fene + u_lj
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