35 lines
907 B
INI
35 lines
907 B
INI
[disk_access_ao_integrals_erf]
|
|
type: Disk_access
|
|
doc: Read/Write AO integrals with the long range interaction from/to disk [ Write | Read | None ]
|
|
interface: ezfio,provider,ocaml
|
|
default: None
|
|
|
|
|
|
[disk_access_mo_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
|
|
|
|
[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
|
|
|
|
[mu_erf]
|
|
type: double precision
|
|
doc: cutting of the interaction in the range separated model
|
|
interface: ezfio,provider,ocaml
|
|
default: 0.5
|
|
ezfio_name: mu_erf
|
|
|