block.io

Contains Input/Output related interfaces.

class block.io.AlgorithmTypes

Bases: enum.Enum

Types of algorithm: one-dot or two-dot or other types.

Members:

OneDot

TwoDot

TwoDotToOneDot

PartialSweep

OneDot = 1

PartialSweep = 4

TwoDot = 2

TwoDotToOneDot = 3

class block.io.CumulTimer(*args, **kwargs)

Bases: object

reset(self: block.io.CumulTimer) → None

start(self: block.io.CumulTimer) → None

stop(self: block.io.CumulTimer) → None

class block.io.Global

Bases: object

Wrapper for global variables.

dmrginp = None

non_abelian_sym = None

point_group = None

class block.io.Input(*args, **kwargs)

Bases: object

algorithm_type

Algorithm type: one-dot or two-dot or other types.

effective_molecule_quantum_vec(self: block.io.Input) → block.symmetry.VectorSpinQuantum

Often this simply returns a vector containing one molecule_quantum. For non-interacting orbitals or Bogoliubov algorithm, this may be more than that.

hf_occupancy

is_spin_adapted

Indicates whether SU(2) symmetry is utilized. If SU(2) is not used, The Abelian subgroup of SU(2) (Sz symmetry) is used.

molecule_quantum

Symmetry of target state.

n_electrons

Number of electrons

n_max_iters

The maximal number of sweep iterations (outer loop).

n_roots(self: block.io.Input, sweep_iter: int) → int

Get number of states to solve for given sweep iteration.

output_level

slater_size

Number of spin-orbitals

spin_orbs_symmetry

Spatial symmetry (irrep number) of each spin-orbital.

sweep_tol

timer_guessgen

Timer for generating or loading dot blocks and environment block.

timer_multiplier

Timer for blocking.

timer_operrot

Timer for operator rotation.

twodot_to_onedot_iter

Indicating at which sweep iteration the switching from two-dot to one-dot will happen.

class block.io.Timer(*args, **kwargs)

Bases: object

elapsed_cputime(self: block.io.Timer) → float

elapsed_walltime(self: block.io.Timer) → int

start(self: block.io.Timer) → None

block.io.get_current_stack_memory() → int

block.io.init_stack_memory() → None

block.io.read_input(arg0: str) → None

block.io.release_stack_memory() → None

block.io.set_current_stack_memory(arg0: int) → None