Skip to content

Optim SCF ETRS

Nicolas Tancogne-Dejean requested to merge optim_etrs_scf into develop

Description

Optimize the self-consistent ETRS propagation by combining the exponential and density calculation in the SCF loop.

News snippet

Optimize the self-consistent ETRS propagation by combining the exponential and density calculation in the SCF loop.

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