Skip to content

Starting to implement class-based convergence criteria.

Nicolas Tancogne-Dejeanrequested to merge
conv_criterium into develop

Description

Refactoring of the SCF code to use class-based convergence criteria. This is now using the multisystem quantities. This merge request is part of a larger effort to move electrons to the new framework.

News snippet

Refactoring of the SCF code to use class-based convergence criteria.

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.

Merge request reports