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bugfix spline hessian
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Christoph Ortner committed Jan 26, 2024
1 parent a833529 commit d6b2ad2
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/splines.jl
Original file line number Diff line number Diff line change
Expand Up @@ -73,7 +73,7 @@ evaluate(V::SplinePairPotential{T}, r::Number) where {T} =
evaluate_d(V::SplinePairPotential{T}, r::Number) where {T} =
r < V.rcut ? Interpolations.gradient(V.spl, r)[1] : zero(T)

evaluate_dd(V::SplinePairPotential, r::Number) =
evaluate_dd(V::SplinePairPotential{T}, r::Number) where {T} =
r < V.rcut ? Interpolations.hessian(V.spl, r)[1] : zero(T)


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