Nicolas Tancogne-Dejean requested to merge refactor_kli into main Jul 06, 2023

Description

Refactors and improves for KLI

In particular, this commit

Adds OpenMP supports
Reduces the number of call to states_get_state
Fixes a missing occupation number in the KLI matrices
Simplifies the code

News snippet

Refactors and improves for KLI

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.