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Some fixes and improvements to LCAO

Micael Oliveira requested to merge fixes_to_lcao into develop

Description

Fix a couple of issues when running in parallel that sometimes cause the compiler to report an FPE and valgrind to report accessing uninitialized memory in Scalapack. Also includes several improvements to the debug mode in LCAO.

News snippet

Some fixes and improvements to LCAO.

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.

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