9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-14 07:33:31 +01:00
qp2/src/cipsi/EZFIO.cfg

43 lines
1.3 KiB
INI
Raw Normal View History

2021-01-19 18:28:00 +01:00
[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
2020-12-10 18:22:16 +01:00
[seniority_max]
2020-12-10 17:54:50 +01:00
type: integer
2020-12-10 18:22:16 +01:00
doc: Maximum number of allowed open shells. Using -1 selects all determinants
2020-12-10 17:54:50 +01:00
interface: ezfio,ocaml,provider
default: -1
2020-12-10 18:22:16 +01:00
2021-04-29 14:43:02 +02:00
[excitation_ref]
type: integer
doc: 1: Hartree-Fock determinant, 2:All determinants of the dominant configuration
interface: ezfio,ocaml,provider
default: 1
2020-12-10 18:22:16 +01:00
[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
2022-04-13 13:25:39 +02:00
[twice_hierarchy_max]
type: integer
doc: Twice the maximum hierarchy parameter (excitation degree plus half the seniority number). Using -1 selects all determinants
interface: ezfio,ocaml,provider
default: -1