update interface to ChunkSplitters 3.0 (#32)

JuliaMolSim · Oct 3, 2024 · 91db838 · 91db838
1 parent 4d7fdc4
commit 91db838
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Showing 2 changed files with 3 additions and 3 deletions.
diff --git a/Project.toml b/Project.toml
@@ -24,7 +24,7 @@ UnitfulAtomic = "a7773ee8-282e-5fa2-be4e-bd808c38a91a"
 AtomsBase = "0.3, 0.4"
 AtomsCalculators = "0.2"
 Bumper = "0.6, 0.7"
-ChunkSplitters = "2"
+ChunkSplitters = "3"
 DiffResults = "1"
 Folds = "0.2.10"
 ForwardDiff = "0.10"

diff --git a/src/sitepotentials/assembly.jl b/src/sitepotentials/assembly.jl
@@ -63,12 +63,12 @@ function energy_forces_virial(
                   kwargs...)
    uE = energy_unit(V)
    fE = force_unit(V)
-   E_F_V = Folds.sum( collect(chunks(domain, ntasks)), 
+   E_F_V = Folds.sum( collect(index_chunks(domain; n=ntasks)), 
                       executor;
                       init=[ zero_energy(sys, V), 
                              zero_forces(sys, V), 
                              zero_virial(sys, V) ]
-   ) do (sub_domain, _)
+   ) do sub_domain
 
       E = zero_energy(sys, V)
       frc = zero_forces(sys, V)