9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-10-04 15:15:58 +02:00
qp2/src/cipsi_tc_bi_ortho/EZFIO.cfg
2023-02-07 17:28:11 +01:00

37 lines
1.1 KiB
INI

[save_wf_after_selection]
type: logical
doc: If true, saves the wave function after the selection, before the diagonalization
interface: ezfio,provider,ocaml
default: False
[seniority_max]
type: integer
doc: Maximum number of allowed open shells. Using -1 selects all determinants
interface: ezfio,ocaml,provider
default: -1
[excitation_ref]
type: integer
doc: 1: Hartree-Fock determinant, 2:All determinants of the dominant configuration
interface: ezfio,ocaml,provider
default: 1
[excitation_max]
type: integer
doc: Maximum number of excitation with respect to the Hartree-Fock determinant. Using -1 selects all determinants
interface: ezfio,ocaml,provider
default: -1
[excitation_alpha_max]
type: integer
doc: Maximum number of excitation for alpha determinants with respect to the Hartree-Fock determinant. Using -1 selects all determinants
interface: ezfio,ocaml,provider
default: -1
[excitation_beta_max]
type: integer
doc: Maximum number of excitation for beta determinants with respect to the Hartree-Fock determinant. Using -1 selects all determinants
interface: ezfio,ocaml,provider
default: -1