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Store diagonal HEFF in JobMix

Jellby requested to merge heff into master

The effective Hamiltonian was stored only in the JobIph file. If the HEFF keyword of RASSI was tried with the JobMix file, it gave zero energies. Now store a diagonal HEFF in JobMix too, such that HEFF and EJOB give the same result.

Also some small doc fixes.

  • Documentation updated or not needed.
  • Test created or not needed.
  • Attribution in source files and CONTRIBUTORS.md updated if necessary.

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