vibeqc.CISDOptions

class vibeqc.CISDOptions(*, max_excitation=2, nroots=1, max_det=20000)

Bases: object

CISD options for run_job(method="cisd") / citype="cisd".

The standalone cisd() solver keeps the same controls as explicit keyword arguments. This options struct is the high-level driver surface, mirroring the CASCI/CASSCF option pattern.

Parameters:

• max_excitation (int)

• nroots (int)

• max_det (int | None)

max_excitation

2 for CISD (default), 1 for CIS / TDA-style reference+singles.

Type:

int

nroots

Number of CI roots to solve for (default 1). With nroots > 1 the headline SolverResult.energy stays root 0 and the .out solver block prints the root-energy table.

Type:

int

max_det

Guard on the determinant-space size (default 20 000). Raise this deliberately for larger dense eigensolves.

Type:

int | None

__init__(*, max_excitation=2, nroots=1, max_det=20000)

Parameters:

• max_excitation (int)

• nroots (int)

• max_det (int | None)

Return type:

None

Methods

__init__(*[, max_excitation, nroots, max_det])

Attributes

max_det
max_excitation
nroots

max_excitation: int = 2

nroots: int = 1

max_det: int | None = 20000