doc: Threshold for the convergence of the residual equations.
interface: ezfio,ocaml,provider
default: 1e-6
[cc_max_iter]
type: integer
doc: Maximum number of iterations.
interface: ezfio,ocaml,provider
default: 100
[cc_diis_depth]
type: integer
doc: Maximum depth of the DIIS, i.e., maximum number of iterations that the DIIS keeps in memory. Warning, we allocate matrices with the diis depth at the beginning without update. If you don't have enough memory it should crash in memory.
interface: ezfio,ocaml,provider
default: 8
[cc_level_shift]
type: double precision
doc: Level shift for the CC
interface: ezfio,ocaml,provider
default: 0.0
[cc_level_shift_guess]
type: double precision
doc: Level shift for the guess of the CC amplitudes
interface: ezfio,ocaml,provider
default: 0.0
[cc_update_method]
type: character*(32)
doc: Method used to update the CC amplitudes. none -> normal, diis -> with diis.
interface: ezfio,ocaml,provider
default: diis
[cc_guess_t1]
type: character*(32)
doc: Guess used to initialize the T1 amplitudes. none -> 0, MP -> perturbation theory, read -> read from disk.
interface: ezfio,ocaml,provider
default: MP
[cc_guess_t2]
type: character*(32)
doc: Guess used to initialize the T2 amplitudes. none -> 0, MP -> perturbation theory, read -> read from disk.
