Description

Fixes several problems with all-electron species:

The occupations of the atomic orbitals were not known, and hence all the possible orbitals were used to compute the guess density.
The occupation of the orbitals is not properly guessed from the Z value, using a generalization of the routine ps_guess_occupations. This allows to also set properly the quantum numbers to the orbitals.
The associated Laguerre polynomial computed from GSL were giving some overflows. This is also fixed implementing a simple recurrence formula. Results are identical up to machine precision for low-order polynomials.
This commit also fixes several problems and inconsistencies: use of Zval instead of Z, use of the orbital index in place of the principal quantum number.
The radius of the orbitals is now estimated better, as the previous estimated was based on the exponential tail only, without taking care of the prefactor.
The ANC pontetial is now normalized at initialization to avoid recomputing it too often. This allows for using the corresponding 1s orbital for the guess of the atomic orbitals.

News snippet

Fixes several problems with all-electron species.