for a given MO return the dominant atomic subshell
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
type(basis), | intent(in) | :: | b | |||
real(kind=long), | intent(in) | :: | lc(:) | |||
integer, | intent(out) | :: | max_atom | |||
integer, | intent(out) | :: | max_n | |||
integer, | intent(out) | :: | max_l | |||
real(kind=long), | intent(out) | :: | max_popnl |