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Improved Lapack interface

Nicolas Tancogne-Dejean requested to merge improved_lapack into develop

Description

Improve the Lapack interface and fix several problems and potential bugs:

  • The routines that destroy matrices not have a flag to preserve them. This flag is mandatory.
  • The least_square routine is now implemented for the complex case. This fixes a bug for DIIS mixing with complex numbers.
  • The interface for the routines dsyevx and zheevx was not correct. They are not used at the moment.
  • Adding some missing intents
  • Refactoring of some real/complex versions of Lapack routines.

Closes #313 (closed)

News snippet

Improve the Lapack interface and fix several problems and potential bugs.

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 Martin Lueders

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