search sorted to find atom in group

m3g · Mar 26, 2024 · 821e4b3 · 821e4b3
1 parent 9f1adc2
commit 821e4b3
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/src/updatecounters.jl b/src/updatecounters.jl
@@ -25,7 +25,8 @@ function update_group_count!(group_count, ibin, iatom, frame_weight, sol::AtomSe
     else
         iat = sol.indices[iatom] 
         for (igroup, indices) in enumerate(sol.group_atom_indices)
-            if iat in indices
+            ifind = searchsortedfirst(iat, indices)
+            if ifind == iat
                 group_count[igroup][ibin] += frame_weight
             end
         end