1
0
mirror of https://gitlab.com/scemama/qp_plugins_scemama.git synced 2024-12-23 12:54:35 +01:00
qp_plugins_scemama/devel/trexio/EZFIO.cfg

31 lines
642 B
INI

[backend]
type: integer
doc: Back-end used in TREXIO. 0: HDF5, 1:Text
interface: ezfio, ocaml, provider
default: 0
[trexio_file]
type: character*(256)
doc: Name of the exported TREXIO file
interface: ezfio, ocaml, provider
default: None
[export_rdm]
type: logical
doc: If True, export two-body reduced density matrix
interface: ezfio, ocaml, provider
default: False
[export_ao_ints]
type: logical
doc: If True, export two-electron integrals in AO basis
interface: ezfio, ocaml, provider
default: False
[export_mo_ints]
type: logical
doc: If True, export two-electron integrals in MO basis
interface: ezfio, ocaml, provider
default: True