diff --git a/src/multi_configurational_equations.jl b/src/multi_configurational_equations.jl index 86927d6..467f67c 100644 --- a/src/multi_configurational_equations.jl +++ b/src/multi_configurational_equations.jl @@ -164,6 +164,9 @@ function Base.diff(E::EM, orbitals::VO; verbosity=0) where {EM<:EnergyExpression isnothing(p) || ProgressMeter.next!(p) eq end + if !(equations isa AbstractVector) + equations = [equations] + end vd = collect(values(integrals.data)) verbosity > 3 && @info "Integrals" integrals.data filter(∉(1:length(integrals.data)), vd)