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31 lines
928 B
INI
31 lines
928 B
INI
[pert_2rdm]
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type: logical
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doc: If true, computes the one- and two-body rdms with perturbation theory
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interface: ezfio,provider,ocaml
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default: False
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[seniority_max]
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type: integer
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doc: Maximum number of allowed open shells. Using -1 selects all determinants
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interface: ezfio,ocaml,provider
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default: -1
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[excitation_max]
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type: integer
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doc: Maximum number of excitation with respect to the Hartree-Fock determinant. Using -1 selects all determinants
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interface: ezfio,ocaml,provider
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default: -1
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[excitation_alpha_max]
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type: integer
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doc: Maximum number of excitation for alpha determinants with respect to the Hartree-Fock determinant. Using -1 selects all determinants
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interface: ezfio,ocaml,provider
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default: -1
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[excitation_beta_max]
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type: integer
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doc: Maximum number of excitation for beta determinants with respect to the Hartree-Fock determinant. Using -1 selects all determinants
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interface: ezfio,ocaml,provider
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default: -1
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