Version ba9a83d
when I start from
geometry={he}
basis=aug-cc-pV(T+d)Z-PP
core,large
{df-rhf}
in guided mode, and go up with the charge to 1 and then down to 0, I get this:
geometry={he}
basis=aug-cc-pV(T+d)Z-PP
charge=1
charge=0
core,large
{df-rhf}
It would be better to have only one line, because now also guided mode is left. Also, in guided mode you could not go to charges larger than 2 by clicking. You get at most
geometry={he}
basis=aug-cc-pV(T+d)Z-PP
charge=1
charge=2
core,large
{df-rhf}
and then guided mode is left.