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LCAO improvement

Nicolas Tancogne-Dejean requested to merge lcao_wf_spinors into develop

Description

This merge request addresses the following points: -Remove the lcao_simple option, as this does not produce meaningful results, depends on the number of extrastates, and was wrong for spinor wavefunctions. -A performance bug is fixed for spinors in the lcao_wf routine. -Remove the add argument, as this was not implemented correctly, and was not used anymore.

News snippet

Removing the lcao_simple option of LCAOStart.

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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