mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-03 20:54:00 +01:00
437df9439d
* corrected bitmask in Full_CI_ZMQ - seemingly working shiftedbk * removed set_generators_bitmasks_as_holes_and_particles from dress_zmq * removed dress_zmq dependency to MRCC_Utils
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
|
|
|