Skip to content

WIP: Fix evolution

Nicolas Tancogne-Dejean requested to merge fix_evolution_eigen into develop

Description

Fix the routine state_elec_calc_overlap. The symmetrization was simply wrong. This affects only the evolution eigensolver.

News snippet

Fix the routine state_elec_calc_overlap.

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