quantum_package/src/Integrals_Bielec/EZFIO.cfg

[do_direct_integrals]
type: logical
doc: Compute integrals on the fly
interface: ezfio,provider,ocaml
default: False
ezfio_name: direct

[no_vvvv_integrals]
type: logical
doc: If True, computes all integrals except for the integrals having 4 virtual index
interface: ezfio,provider,ocaml
default: False
ezfio_name: no_vvvv_integrals

[no_ivvv_integrals]
type: logical
doc: Can be switched on only if  no_vvvv_integrals  is True, then do not computes the integrals having 3 virtual index and 1 belonging to the core inactive active orbitals
interface: ezfio,provider,ocaml
default: False
ezfio_name: no_ivvv_integrals

[no_vvv_integrals]
type: logical
doc: Can be switched on only if  no_vvvv_integrals  is True, then do not computes the integrals having 3 virtual orbitals
interface: ezfio,provider,ocaml
default: False
ezfio_name: no_vvv_integrals

[disk_access_mo_integrals]
type: Disk_access
doc: Read/Write MO integrals from/to disk [ Write | Read | None ] 
interface: ezfio,provider,ocaml
default: None

[disk_access_ao_integrals]
type: Disk_access
doc: Read/Write AO integrals from/to disk [ Write | Read | None ] 
interface: ezfio,provider,ocaml
default: None

[ao_integrals_threshold]
type: Threshold
doc: If |<pq|rs>| < ao_integrals_threshold then <pq|rs> is zero
interface: ezfio,provider,ocaml
default: 1.e-15
ezfio_name: threshold_ao

[mo_integrals_threshold]
type: Threshold
doc: If |<ij|kl>| < ao_integrals_threshold then <pq|rs> is zero
interface: ezfio,provider,ocaml
default: 1.e-15
ezfio_name: threshold_mo