Nicolas Tancogne-Dejean requested to merge multisystem/bomd into main May 09, 2023

Description

Implements Born-Oppenheimer Molecular Dynamics in the multisystem framework

This is done as a new propagators for the matter system, which does velocity Verlet for the ions and ground state for the electrons.

News snippet

Implements BOMD in the multisystem framework

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.