2019-01-25 11:39:31 +01:00
|
|
|
[io_mo_two_e_integrals]
|
|
|
|
type: Disk_access
|
|
|
|
doc: Read/Write |MO| integrals from/to disk [ Write | Read | None ]
|
|
|
|
interface: ezfio,provider,ocaml
|
|
|
|
default: None
|
|
|
|
|
|
|
|
[mo_integrals_threshold]
|
|
|
|
type: Threshold
|
|
|
|
doc: If | <ij|kl> | < `mo_integrals_threshold` then <ij|kl> is zero
|
|
|
|
interface: ezfio,provider,ocaml
|
|
|
|
default: 1.e-15
|
|
|
|
ezfio_name: threshold_mo
|
|
|
|
|
2020-05-11 16:04:16 +02:00
|
|
|
[no_vvvv_integrals]
|
|
|
|
type: logical
|
|
|
|
doc: If `True`, computes all integrals except for the integrals having 3 or 4 virtual indices
|
|
|
|
interface: ezfio,provider,ocaml
|
|
|
|
default: false
|
|
|
|
|
2023-10-16 16:18:58 +02:00
|
|
|
[io_mo_two_e_integrals_erf]
|
|
|
|
type: Disk_access
|
|
|
|
doc: Read/Write MO integrals with the long range interaction from/to disk [ Write | Read | None ]
|
|
|
|
interface: ezfio,provider,ocaml
|
|
|
|
default: None
|
|
|
|
|
|
|
|
|