mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-05 05:33:56 +01:00
18 lines
356 B
INI
18 lines
356 B
INI
|
[energy]
|
||
|
|
type: double precision
|
||
|
|
doc: Calculated energy
|
||
|
|
interface: ezfio
|
||
|
|
|
||
|
|
[thresh_dressed_ci]
|
||
|
|
type: Threshold
|
||
|
|
doc: Threshold on the convergence of the dressed CI energy
|
||
|
|
interface: ezfio,provider,ocaml
|
||
|
|
default: 1.e-5
|
||
|
|
|
||
|
|
[n_it_max_dressed_ci]
|
||
|
|
type: Strictly_positive_int
|
||
|
|
doc: Maximum number of dressed CI iterations
|
||
|
|
interface: ezfio,provider,ocaml
|
||
|
|
default: 10
|
||
|
|
|