Nicolas Tancogne-Dejean requested to merge reorganize_sic into main Aug 31, 2022

Description

Refactoring of the SIC code:

The ADSIC is now properly computed for the unpolarized case and now also computes the energy.
The polarized and unpolarized cases are now giving exaclty the same result for close-shell systems.
A test is added for this.

News snippet

Bugfix for ADSIC in the unpolarized case. ADSIC now properly computes the energy.

Checklist

I have checked that my code follows the Octopus coding standards
I have added tests for all the new features added in this request.