mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-08 06:23:37 +01:00
49 lines
1.7 KiB
INI
49 lines
1.7 KiB
INI
[two_rdm_ab_disk]
|
|
type: double precision
|
|
doc: active part of the two body rdm alpha/beta stored on disk
|
|
interface: ezfio
|
|
size: (bitmask.n_act_orb,bitmask.n_act_orb,bitmask.n_act_orb,bitmask.n_act_orb,determinants.n_states)
|
|
|
|
[io_two_body_rdm_ab]
|
|
type: Disk_access
|
|
doc: Read/Write the active part of the two-body rdm for alpha/beta electrons from/to disk [ Write | Read | None ]
|
|
interface: ezfio,provider,ocaml
|
|
default: None
|
|
|
|
[two_rdm_aa_disk]
|
|
type: double precision
|
|
doc: active part of the two body rdm alpha/alpha stored on disk
|
|
interface: ezfio
|
|
size: (bitmask.n_act_orb,bitmask.n_act_orb,bitmask.n_act_orb,bitmask.n_act_orb,determinants.n_states)
|
|
|
|
[io_two_body_rdm_aa]
|
|
type: Disk_access
|
|
doc: Read/Write the active part of the two-body rdm for alpha/alpha electrons from/to disk [ Write | Read | None ]
|
|
interface: ezfio,provider,ocaml
|
|
default: None
|
|
|
|
[two_rdm_bb_disk]
|
|
type: double precision
|
|
doc: active part of the two body rdm beta/beta stored on disk
|
|
interface: ezfio
|
|
size: (bitmask.n_act_orb,bitmask.n_act_orb,bitmask.n_act_orb,bitmask.n_act_orb,determinants.n_states)
|
|
|
|
[io_two_body_rdm_bb]
|
|
type: Disk_access
|
|
doc: Read/Write the active part of the two-body rdm for beta/beta electrons from/to disk [ Write | Read | None ]
|
|
interface: ezfio,provider,ocaml
|
|
default: None
|
|
|
|
[two_rdm_spin_trace_disk]
|
|
type: double precision
|
|
doc: active part of the two body rdm spin trace stored on disk
|
|
interface: ezfio
|
|
size: (bitmask.n_act_orb,bitmask.n_act_orb,bitmask.n_act_orb,bitmask.n_act_orb,determinants.n_states)
|
|
|
|
[io_two_body_rdm_spin_trace]
|
|
type: Disk_access
|
|
doc: Read/Write the active part of the two-body rdm for spin trace electrons from/to disk [ Write | Read | None ]
|
|
interface: ezfio,provider,ocaml
|
|
default: None
|
|
|