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MC-PDFT Cleanup (Part 2)

Matthew Hennefarth requested to merge hennefarth/pdft-cleanup into master

Remove more unused subroutines, variables, and logic branches. These also include variables/logic branches that do not make sense for MC-PDFT (such as CI iteration thresholds), all of which are remnants of the RASSCF module that was never fully dis-entangled from MC-PDFT.

Also, push all of the mcpdft output vars (like silent, terse, etc) to its own fortran module file. Acts similar to he CASPT2_output.F90 file.

Move most of the multi-state PDFT stuff into its own subroutine and out of the main mcpdft.f loop for readibility.

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

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