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Sigma-p regularization in CASPT2

stefabat requested to merge stefabat/OpenMolcas:reg-caspt2 into master

Implement sigma-p regularization for CASPT2 for p=1 and p=2. See https://doi.org/10.1021/acs.jctc.2c00368

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

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