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Enumeration of all of the wavefunction types that can be read from QM file reader plugins.

CANON = canonical (i.e diagonalized) wavefunction GEMINAL = GVB-ROHF geminal pairs MCSCFNAT = Multi-Configuration SCF natural orbitals MCSCFOPT = Multi-Configuration SCF optimized orbitals CINATUR = Configuration-Interaction natural orbitals BOYS = Boys localization RUEDEN = Ruedenberg localization PIPEK = Pipek-Mezey population localization

NBO related localizations: -------------------------- NAO = Natural Atomic Orbitals PNAO = pre-orthogonal NAOs NBO = Natural Bond Orbitals PNBO = pre-orthogonal NBOs NHO = Natural Hybrid Orbitals PNHO = pre-orthogonal NHOs NLMO = Natural Localized Molecular Orbitals PNLMO = pre-orthogonal NLMOs

UNKNOWN = Use this for any type not listed here You can use the string field for description

Definition at line 381 of file molfile_plugin.h.

                              {
  MOLFILE_WAVE_CANON,    MOLFILE_WAVE_GEMINAL,
  MOLFILE_WAVE_MCSCFNAT, MOLFILE_WAVE_MCSCFOPT,
  MOLFILE_WAVE_CINATUR,
  MOLFILE_WAVE_PIPEK,  MOLFILE_WAVE_BOYS, MOLFILE_WAVE_RUEDEN,
  MOLFILE_WAVE_NAO,    MOLFILE_WAVE_PNAO, MOLFILE_WAVE_NHO, 
  MOLFILE_WAVE_PNHO,   MOLFILE_WAVE_NBO,  MOLFILE_WAVE_PNBO, 
  MOLFILE_WAVE_PNLMO,  MOLFILE_WAVE_NLMO, MOLFILE_WAVE_MOAO, 
  MOLFILE_WAVE_NATO,   MOLFILE_WAVE_UNKNOWN
};


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