Nicolas Tancogne-Dejean requested to merge fix_loewdin_without_phase into hotfix-11.1 Aug 27, 2021

Description

Fixes a problem of using the Loewdin orthogonalization for isolated systems, which was not implemented and was causing a segmentation fault.

News snippet

A fix for Loewdin orthogonalization (for DFT+U) for isolated systems.

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.