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WIP: Several fixes related to the eigensolvers

Micael Oliveira requested to merge fix_condition_cg into hotfix-8.3

Description

There were several problems in the eigensolvers:

  • There was an incorrect condition in the CG eigensolver that made the algorithm exit prematurely.
  • The subspace diagonalization was never done for the PSD eigensolver.
  • The subspace diagonalization was always done twice, except for the RMMDIIS and PSD eigensolvers.
  • The PSD eigensolver was not initializing the preconditioner, therefore not using it. A test for the PSD eigensolver was also added.

News snippet

Fixed several bugs in the eigensolvers.

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 Micael Oliveira

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