Skip to content
  • Nicolas Tancogne-Dejean's avatar
    Refactoring of the SIC code: · 6d672ecd
    Nicolas Tancogne-Dejean authored
    - 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.
    6d672ecd