For now, I'm just documenting a todo list of things I want to sort out as we clean this up. Some of these might just get dropped again.
[ ] I would like to make ChemicalSymbol the default for get_id, I do not like a number be treated as a categorical variable, it has led to so much confusion and bugs in JuLIP. But to be clear, not the Symbol, but ChemicalSymbol just being a wrapper for the atomic number.
[x] Base.zero(::SitePotential) = zero(1.0u"eV") is problematic for type stability. I will try to avoid it.
For now, I'm just documenting a todo list of things I want to sort out as we clean this up. Some of these might just get dropped again.
ChemicalSymbol
the default forget_id
, I do not like a number be treated as a categorical variable, it has led to so much confusion and bugs in JuLIP. But to be clear, not theSymbol
, butChemicalSymbol
just being a wrapper for the atomic number.Base.zero(::SitePotential) = zero(1.0u"eV")
is problematic for type stability. I will try to avoid it.