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Surfacehop ovlp

Morgane Vacher requested to merge surfacehop-ovlp into master

Implement a new option in the surface hoping algorithm: using RASSI to calculate the overlaps between two wavefunctions. Before, only the CI coefficients were taken into account.

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

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