block.block¶

Block definition and operator operations.

class block.block.Block(*args, **kwargs)¶

Bases: object

add_additional_ops(self: block.block.Block) → None¶

add_all_comp_ops(self: block.block.Block) → None¶

bra_state_info¶

clear(self: block.block.Block) → None¶

deallocate(self: block.block.Block) → None¶

diagonal_h(self: block.block.Block, arg0: block.DiagonalMatrix) → None¶

ket_state_info¶

left_block¶: If this is a sum block, return left sub-block for building it.

loop_block¶: Whether the block is loop block.

move_and_free_memory(self: block.block.Block, arg0: block.block.Block) → None¶: If the parameter system is allocated before this object, but we need to free system. Then we have to move the memory of this to system then clear system.

multiply_overlap(self: block.block.Block, c: block.operator.Wavefunction, v: block.operator.Wavefunction, num_threads: int = 1) → None¶

name¶: A random integer.

ops¶: Map from operator types to matrix representation of operators.

print_operator_summary(self: block.block.Block) → None¶: Print operator summary when block.io.Input.output_level at least = 2.

remove_additional_ops(self: block.block.Block) → None¶

renormalize_from(self: block.block.Block, energies: block.VectorDouble, spins: block.VectorDouble, error: float, rotate_matrix: block.VectorMatrix, kept_states: int, kept_qstates: int, tol: float, big: block.block.Block, guess_wave_type: block.block.GuessWaveTypes, noise: float, additional_noise: float, one_dot: bool, system: block.block.Block, system_dot: block.block.Block, environment: block.block.Block, dot_with_sys: bool, warm_up: bool, sweep_iter: int, current_root: int, lower_states: block.operator.VectorWavefunction) → float¶

restore(self: block.block.Block, forward: bool, sites: block.VectorInt, left: int, right: int) → None¶

Read a Block from disk.

Args:

forward : bool: The direction of sweep.
sites : block.VectorInt: List of indices of sites contained in the block. left : int Bra state (-1 for normal case).
right : int: Ket state (-1 for normal case).

right_block¶: If this is a sum block, return right sub-block for building it.

sites¶: List of indices of sites contained in the block.

store(self: block.block.Block, forward: bool, sites: block.VectorInt, left: int, right: int) → None¶

Store a Block into disk.

Args:

forward : bool: The direction of sweep.
sites : block.VectorInt: List of indices of sites contained in the block. This is kind of redundant and can be obtained from Block.sites.
left : int: Bra state (-1 for normal case).
right : int: Ket state (-1 for normal case).

transform_operators(self: block.block.Block, arg0: block.VectorMatrix) → None¶

transform_operators_2(self: block.block.Block, left_rotate_matrix: block.VectorMatrix, right_rotate_matrix: block.VectorMatrix, clear_right_block: bool = True, clear_left_block: bool = True) → None¶

class block.block.GuessWaveTypes¶

Bases: enum.Enum

Types of guess wavefunction for initialize Davidson algorithm (enumerator).

Members:

Basic

Transform

Transpose

Basic = 1¶

Transform = 2¶

Transpose = 3¶

class block.block.MapOperators(*args, **kwargs)¶

Bases: object

items(self: block.block.MapOperators) → iterator¶

class block.block.StorageTypes¶

Bases: enum.Enum

Types of storage (enumerator).

Members:

LocalStorage

DistributedStorage

DistributedStorage = 2¶

LocalStorage = 1¶

class block.block.VectorBlock(*args, **kwargs)¶

Bases: object

append(self: block.block.VectorBlock, x: block.block.Block) → None¶: Add an item to the end of the list

extend(*args, **kwargs)¶

Overloaded function.

extend(self: block.block.VectorBlock, L: block.block.VectorBlock) -> None

Extend the list by appending all the items in the given list

extend(self: block.block.VectorBlock, L: iterable) -> None

Extend the list by appending all the items in the given list

insert(self: block.block.VectorBlock, i: int, x: block.block.Block) → None¶: Insert an item at a given position.

pop(*args, **kwargs)¶

Overloaded function.

pop(self: block.block.VectorBlock) -> block.block.Block

Remove and return the last item

pop(self: block.block.VectorBlock, i: int) -> block.block.Block

Remove and return the item at index i

block.block.init_big_block(left_block: block.block.Block, right_block: block.block.Block, big_block: block.block.Block, bra_quanta: block.symmetry.VectorSpinQuantum = VectorSpinQuantum[], ket_quanta: block.symmetry.VectorSpinQuantum = VectorSpinQuantum[]) → None¶: Initialize big (super) block.

block.block.init_new_environment_block(environment: block.block.Block, environment_dot: block.block.Block, new_environment: block.block.Block, system: block.block.Block, system_dot: block.block.Block, left_state: int, right_state: int, sys_add: int, env_add: int, forward: bool, direct: bool, one_dot: bool, use_slater: bool, integral_index: int, have_norm_ops: bool, have_comp_ops: bool, dot_with_sys: bool) → None¶: Initialize new environment block

block.block.init_new_system_block(system: block.block.Block, system_dot: block.block.Block, new_system: block.block.Block, left_state: int, right_state: int, sys_add: int, direct: bool, integral_index: int, storage: block.block.StorageTypes, have_norm_ops: bool, have_comp_ops: bool) → None¶: Initialize new system block

block.block.init_starting_block(starting_block: block.block.Block, forward: bool, left_state: int, right_state: int, forward_starting_size: int, backward_starting_size: int, restart_size: int, restart: bool, warm_up: bool, integral_index: int, bra_quanta: block.symmetry.VectorSpinQuantum = VectorSpinQuantum[], ket_quanta: block.symmetry.VectorSpinQuantum = VectorSpinQuantum[]) → None¶: Initialize starting block