Improved Lapack interface
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
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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