Minor fixes

coudertlab · Nov 21, 2023 · 49818b6 · 49818b6
1 parent 6fb53b3
commit 49818b6
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Showing 2 changed files with 3 additions and 2 deletions.
diff --git a/src/archive.jl b/src/archive.jl
@@ -100,7 +100,7 @@ function validate_archive(custom_arc, avoid_recompute=true)::Dict{String,String}
                     @info "Keys will be converted to the topological genome used by CrystalNets. This may take a while."
                 end
                 arc_per_thread = [Pair{String,String}[] for _ in 1:nthreads()]
-                Threads.@threads for (key, id) in collect(parsed)
+                Threads.@threads :static for (key, id) in collect(parsed)
                     _g = topological_genome(CrystalNet(PeriodicGraph(key)))
                     if _g.unstable || !isempty(_g.error)
                         if _g.unstable

diff --git a/src/input.jl b/src/input.jl
@@ -738,7 +738,8 @@ function sanitize_removeatoms!(graph::PeriodicGraph3D, pos, types, mat, options)
                         push!(toremove, u.v)
                     elseif typu == t && u.v > i
                         u.v ∈ toremove && continue
-                        Float64(norm(mat * (pos[u.v] .+ u.ofs .- pos[i]))) > 0.9 && continue
+                        bondlength = Float64(norm(mat * (pos[u.v] .+ u.ofs .- pos[i])))
+                        bondlength > 0.9 && continue
                         @ifwarn if isempty(toremove)
                             @warn lazy"$t atoms suspiciously close to one another(bond length: $bondlength). One will be removed."
                         end