vibeqc.V2RDMOptions¶

class vibeqc.V2RDMOptions(target_size=100, conv_tol_energy=1e-06, max_iter=50, verbose=0, random_seed=42, constraints='p', mu=10.0, mu_factor=1.2, mu_max=100000000.0, outer_max_iter=500, conv_tol_primal=1e-06, conv_tol_dual=1e-06)[source]¶

Bases: SolverOptions

Options for the v2RDM solver.

Only the ‘p’ constraint (²D ≥ 0) is currently enforced. Q and G constraint builders exist but feedback is not yet implemented — a NotImplementedError is raised if ‘q’ or ‘g’ appear in the constraints string.

Parameters:

target_size (int)
conv_tol_energy (float)
max_iter (int)
verbose (int)
random_seed (int)
constraints (str)
mu (float)
mu_factor (float)
mu_max (float)
outer_max_iter (int)
conv_tol_primal (float)
conv_tol_dual (float)

__init__(target_size=100, conv_tol_energy=1e-06, max_iter=50, verbose=0, random_seed=42, constraints='p', mu=10.0, mu_factor=1.2, mu_max=100000000.0, outer_max_iter=500, conv_tol_primal=1e-06, conv_tol_dual=1e-06)¶

Parameters:

target_size (int)
conv_tol_energy (float)
max_iter (int)
verbose (int)
random_seed (int)
constraints (str)
mu (float)
mu_factor (float)
mu_max (float)
outer_max_iter (int)
conv_tol_primal (float)
conv_tol_dual (float)

Return type:

None

Methods

__init__([target_size, conv_tol_energy, ...])

Attributes

`constraints`
`conv_tol_dual`
`conv_tol_energy`	Energy convergence threshold (Hartree).
`conv_tol_primal`
`max_iter`	Maximum number of macro-iterations.
`mu`
`mu_factor`
`mu_max`
`outer_max_iter`
`random_seed`	Random seed for reproducibility.
`target_size`	Target number of determinants / bond-dimension / constraint set size.
`verbose`	0 = silent, 1 = per-iteration, 2 = debug.

constraints: str = 'p'¶

mu: float = 10.0¶

mu_factor: float = 1.2¶

mu_max: float = 100000000.0¶

outer_max_iter: int = 500¶

conv_tol_primal: float = 1e-06¶

conv_tol_dual: float = 1e-06¶