mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-04 21:23:56 +01:00
18 lines
327 B
INI
18 lines
327 B
INI
[energy]
|
|
type: double precision
|
|
doc: Calculated Selected |FCI| energy
|
|
interface: ezfio
|
|
size: (determinants.n_states)
|
|
|
|
[energy_pt2]
|
|
type: double precision
|
|
doc: Calculated |FCI| energy + |PT2|
|
|
interface: ezfio
|
|
size: (determinants.n_states)
|
|
|
|
[cipsi_tc]
|
|
type: character*(32)
|
|
doc: TODO
|
|
interface: ezfio,provider,ocaml
|
|
default: h_tc
|