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Implementation of updated and new SCF optimization procedures.

Roland Lindh requested to merge is-gek into master

Performance enhancing updates to the DIIS, and RS-RFO optimization procedures in the SCF module. Moreover, the subspace GEK (s-GEK) approach is fully implemented.

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

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