From 8257570bf878fd27dddafb8a99af6a4e1b3b7c6b Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=C3=89tienne=20Polack?= Date: Tue, 7 Jun 2022 18:14:29 +0200 Subject: [PATCH] renaming --- test/phonons.jl | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/test/phonons.jl b/test/phonons.jl index a667f59a37..946b00f992 100644 --- a/test/phonons.jl +++ b/test/phonons.jl @@ -58,10 +58,10 @@ function test_supercell_q0(; N_scell=1) Φ = Array{eltype(positions[1])}(undef, length(directions), n_atoms) for (i, direction) in enumerate(directions) Φ[i, :] = - ForwardDiff.derivative(0.0) do ε - n_positions = unfold(fold(positions) .+ ε .* s * direction) + new_positions = unfold(fold(positions) .+ ε .* s * direction) forces = zeros(Vec3{complex(eltype(ε))}, length(positions)) - DFTK.energy_pairwise(lattice, [:X for _ in positions], - n_positions, V, params; forces=forces, max_radius=MAX_RADIUS) + DFTK.energy_pairwise(lattice, [:X for _ in positions], new_positions, V, params; + forces=forces, max_radius=MAX_RADIUS) [(s * f)[1] for f in forces] end end