mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-18 12:03:57 +01:00
18 lines
332 B
INI
18 lines
332 B
INI
[energy]
|
|
type: double precision
|
|
doc: Calculated energy
|
|
interface: ezfio
|
|
|
|
[thresh_mrcc]
|
|
type: Threshold
|
|
doc: Threshold on the convergence of the MRCC energy
|
|
interface: ezfio,provider,ocaml
|
|
default: 1.e-5
|
|
|
|
[n_it_mrcc_max]
|
|
type: Strictly_positive_int
|
|
doc: Maximum number of MRCC iterations
|
|
interface: ezfio,provider,ocaml
|
|
default: 10
|
|
|