Skip to content

The Rayleigh quotient needs to be normalized for the RMMDIIS, as vectors are not…

Nicolas Tancogne-Dejean requested to merge rmmdiis_norm into develop

Description

The Rayleigh quotient needs to be normalized for the RMMDIIS, as vectors are not orthogonal.

News snippet

Improve the stability of the RMMDIIS solver.

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.
Edited by Nicolas Tancogne-Dejean

Merge request reports