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.
Removing the lcao_simple option of LCAOStart.
- I have checked that my code follows the Octopus coding standards
- I have added tests for all the new features added in this request.