2015-03-31 09:58:25 +02:00
|
|
|
[do_direct_integrals]
|
|
|
|
|
type: logical
|
2015-03-31 11:45:18 +02:00
|
|
|
doc: Compute integrals on the fly
|
2015-03-31 09:58:25 +02:00
|
|
|
interface: input
|
|
|
|
|
default: False
|
|
|
|
|
ezfio_name: direct
|
|
|
|
|
|
2015-04-01 12:02:02 +02:00
|
|
|
[disk_access_mo_integrals]
|
|
|
|
|
type: Disk_access
|
|
|
|
|
doc: Write, Read, None for MO integrals from disk (EZFIO folder)
|
2015-03-31 09:58:25 +02:00
|
|
|
interface: input
|
2015-04-01 12:02:02 +02:00
|
|
|
default: None
|
2015-03-31 09:58:25 +02:00
|
|
|
|
2015-04-01 12:02:02 +02:00
|
|
|
[disk_access_ao_integrals]
|
|
|
|
|
type: Disk_access
|
|
|
|
|
doc: Write or Read or None for AO integrals from disk (EZFIO folder)
|
2015-03-31 09:58:25 +02:00
|
|
|
interface: input
|
2015-04-01 12:02:02 +02:00
|
|
|
default: None
|
2015-03-31 09:58:25 +02:00
|
|
|
|
|
|
|
|
[ao_integrals_threshold]
|
|
|
|
|
type: Threshold
|
2015-03-31 11:41:07 +02:00
|
|
|
doc: If <pq|rs> < ao_integrals_threshold then <pq|rs> is null
|
2015-03-31 09:58:25 +02:00
|
|
|
interface: input
|
|
|
|
|
default: 1.e-15
|
|
|
|
|
ezfio_name: threshold_ao
|
|
|
|
|
|
|
|
|
|
[mo_integrals_threshold]
|
|
|
|
|
type: Threshold
|
2015-03-31 11:41:07 +02:00
|
|
|
doc: If <ij|kl> < ao_integrals_threshold then <pq|rs> is null
|
2015-03-31 09:58:25 +02:00
|
|
|
interface: input
|
|
|
|
|
default: 1.e-15
|
|
|
|
|
ezfio_name: threshold_mo
|
