2019-10-28 16:08:37 +01:00
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[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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2020-12-10 17:54:50 +01:00
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2021-01-19 18:28:00 +01:00
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[save_wf_after_selection]
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type: logical
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doc: If true, saves the wave function after the selection, before the diagonalization
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interface: ezfio,provider,ocaml
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default: False
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2020-12-10 18:22:16 +01:00
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[seniority_max]
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2020-12-10 17:54:50 +01:00
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type: integer
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2020-12-10 18:22:16 +01:00
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doc: Maximum number of allowed open shells. Using -1 selects all determinants
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2020-12-10 17:54:50 +01:00
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interface: ezfio,ocaml,provider
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default: -1
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2020-12-10 18:22:16 +01:00
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2021-04-29 14:43:02 +02:00
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[excitation_ref]
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type: integer
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doc: 1: Hartree-Fock determinant, 2:All determinants of the dominant configuration
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interface: ezfio,ocaml,provider
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default: 1
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2020-12-10 18:22:16 +01:00
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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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