Possibly translating in the wrong direction

NQCD · Aug 16, 2023 · a040b84 · a040b84
1 parent 43420a2
commit a040b84
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/InitialConditions/QuantisedDiatomic/QuantisedDiatomic.jl b/src/InitialConditions/QuantisedDiatomic/QuantisedDiatomic.jl
@@ -252,7 +252,7 @@ function quantise_diatomic(sim::Simulation, v::Matrix, r::Matrix;
     if isa(sim.cell,PeriodicCell)
         # If the simulation used a `PeriodicCell`, translate `atom_indices` so they are at their minimum distance. (This is necessary if atoms were translated back into the original unit cell)
         translations=[[i,j,k] for i in -max_translation:max_translation for j in -max_translation:max_translation for k in -max_translation:max_translation]
-        which_translation=argmin([norm(abs.(r[:,atom_indices[1]]-r[:,atom_indices[2]]+sim.cell.vectors*operation)) for operation in translations])
+        which_translation=argmin([norm(abs.(r[:,atom_indices[2]]-r[:,atom_indices[1]]+sim.cell.vectors*operation)) for operation in translations])
         # Translate one atom for minimal distance. 
         if translations[which_translation]!=[0,0,0]
             r[:,atom_indices[2]].=r[:,atom_indices[2]]+sim.cell.vectors*translations[which_translation]