diff --git a/src/mono_atomic.jl b/src/mono_atomic.jl index 278c5ea..10b9822 100644 --- a/src/mono_atomic.jl +++ b/src/mono_atomic.jl @@ -121,9 +121,9 @@ function pack_monoatomic!( else volume = prod(unitcell) end - packing_tol = tol + tol/10 # this avoids slow convergence + packing_tol = tol + tol / 10 # this avoids slow convergence ncells = min(volume / packing_tol^N, length(positions)) - cutoff = (volume / ncells)^(1/N) + cutoff = (volume / ncells)^(1 / N) println("Using cell list cutoff: ", cutoff) println("Using packing tolerance: ", packing_tol) system = ParticleSystem(