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Improve py2fch_direct

Shirong Wang requested to merge jeanwsr/mokit:zmaster into master
  • Allow user-defined mo_coeff and mo_occ when dumping fchk.
  • Fix missing deallocate.
  • Add fchk_uno (because dumping natural orbitals for an unrestricted mf is not supported by fchk())
  • UHF cannot be recognized by Multiwfn.
Edited by Shirong Wang

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