[FEATURE TRANSFER] [possibly unnecessary] Remove MC-PDFT (1/2) #154
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sunqm
approved these changes
Aug 17, 2025
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Corresponds to pyscf/pyscf#2898 and #144. If for whatever reason, pyscf/pyscf#2898 is accepted long prior to the second PR in which dft2 is transferred, this PR for PySCF-Forge will keep the MC23 functional available [given some hacking] while removing the now-duplicated MC-PDFT source code files, tests, and example scripts. Of course, it cannot pass CI tests until the next release after the merge of pyscf/pyscf#2898, but for now, it works on my machine (famous last words...).