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Parallel numerical gradient DMRG-CASPT2

Quan Phung requested to merge (removed):master into master

Parallel numerical gradient with DMRG-CASPT2

This commit allows geometry optimization using DMRG-CASPT2 and numerical gradients. Both serial and parallel calculations are supported. Cleanup chemps2ctl.f

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

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