fix examples

JuliaMolSim · May 10, 2023 · 88c28ca · 88c28ca
1 parent 12e0a75
commit 88c28ca
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Showing 2 changed files with 6 additions and 2 deletions.
diff --git a/examples/custom_potential.jl b/examples/custom_potential.jl
@@ -70,7 +70,8 @@ tot_local_pot = DFTK.total_local_potential(scfres.ham)[:, 1, 1]; # use only dime
 # Extract other quantities before plotting them
 ρ = scfres.ρ[:, 1, 1, 1]        # converged density, first spin component
 ψ_fourier = scfres.ψ[1][:, 1]   # first k-point, all G components, first eigenvector
-ψ = ifft(basis, basis.kpoints[1], ψ_fourier)[:, 1, 1]
+ψ_t = ifft(basis, basis.kpoints[1], ψ_fourier)[:, 1, 1]
+ψ = reinterpret(reshape, eltype(eltype(ψ_t)), ψ_t)
 ψ /= (ψ[div(end, 2)] / abs(ψ[div(end, 2)]));
 
 using Plots

diff --git a/examples/error_estimates_forces.jl b/examples/error_estimates_forces.jl
@@ -124,7 +124,10 @@ function apply_metric(φ, P, δφ, A::Function)
         Aδφk = similar(δφk)
         φk = φ[ik]
         for n = 1:size(δφk,2)
-            Aδφk[:,n] = A(φk, P[ik], δφk[:,n], n)
+            φk_t = reinterpret(reshape, eltype(φk[1]), φk)
+            δφk_t = reinterpret(reshape, eltype(δφk[1,n]), δφk)
+            Aδφk_t = reinterpret(reshape, eltype(Aδφk[1,n]), Aδφk)
+            Aδφk_t[:,n] = A(φk_t, P[ik], δφk_t[:,n], n)
         end
         Aδφk
     end