""" Implementation of a single PEPS tensor """ from __future__ import annotations import collections from dataclasses import dataclass from enum import Enum, IntEnum, auto, unique import numpy as np import jax import jax.numpy as jnp from jax.tree_util import register_pytree_node_class import h5py from varipeps.utils.random import PEPS_Random_Number_Generator from varipeps.utils.svd import gauge_fixed_svd import typing from typing import TypeVar, Type, Union, Optional, Sequence, Tuple, Any from varipeps.typing import Tensor, is_tensor T_PEPS_Tensor = TypeVar("T_PEPS_Tensor", bound="PEPS_Tensor") T_PEPS_Tensor_Split_Transfer = TypeVar( "T_PEPS_Tensor_Split_Transfer", bound="PEPS_Tensor_Split_Transfer" ) @unique class PEPS_Type(IntEnum): SQUARE = auto() #: Square-lattice based iPEPS state with full transfer tensors SQUARE_SPLIT = ( auto() ) #: Square-lattice based iPEPS state with split transfer tensors TRIANGULAR = auto() #: Triangular-lattice based iPEPS state @dataclass @register_pytree_node_class class PEPS_Tensor: """ Class to model a single a PEPS tensor with the corresponding CTM tensors. Args: tensor (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): PEPS tensor C1 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C1 tensor C2 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C2 tensor C3 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C3 tensor C4 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C4 tensor T1 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T1 tensor T2 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T2 tensor T3 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T3 tensor T4 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T4 tensor d (:obj:`int`): Physical dimension of the PEPS tensor D (:term:`sequence` of :obj:`int`): Sequence of the bond dimensions of the PEPS tensor chi (:obj:`int`): Bond dimension for the CTM tensors max_chi (:obj:`int`): Maximal allowed bond dimension of environment tensors. """ tensor: Tensor C1: Tensor C2: Tensor C3: Tensor C4: Tensor d: int D: Tuple[int, int, int, int] chi: int max_chi: int T1: Tensor T2: Tensor T3: Tensor T4: Tensor sanity_checks: bool = True tensor_conj: Optional[Tensor] = None def __post_init__(self) -> None: if not self.sanity_checks: return # # Copied from https://stackoverflow.com/questions/50563546/validating-detailed-types-in-python-dataclasses # for field_name, field_def in self.__dataclass_fields__.items(): # type: ignore # actual_value = getattr(self, field_name) # if isinstance(actual_value, jax.core.Tracer): # continue # evaled_type = eval(field_def.type) # if isinstance(evaled_type, typing._SpecialForm): # # No check for typing.Any, typing.Union, typing.ClassVar (without parameters) # continue # try: # actual_type = evaled_type.__origin__ # except AttributeError: # actual_type = evaled_type # if isinstance(actual_type, typing._SpecialForm): # # case of typing.Union[…] or typing.ClassVar[…] # actual_type = evaled_type.__args__ # if not isinstance(actual_value, actual_type): # raise ValueError( # f"Invalid type for field '{field_name}'. Expected '{field_def.type}', got '{type(field_name)}.'" # ) if not len(self.D) == 4: raise ValueError( "The bond dimension of the PEPS tensor has to be a tuple of four entries." ) if ( self.tensor.shape[0] != self.D[0] or self.tensor.shape[1] != self.D[1] or self.tensor.shape[3] != self.D[2] or self.tensor.shape[4] != self.D[3] ): raise ValueError("Bond dimension sequence mismatches tensor.") if not ( self.T1.shape[1] == self.T1.shape[2] == self.D[3] and self.T2.shape[0] == self.T2.shape[1] == self.D[2] and self.T3.shape[2] == self.T3.shape[3] == self.D[1] and self.T4.shape[1] == self.T4.shape[2] == self.D[0] ): raise ValueError( "At least one transfer tensors mismatch bond dimensions of PEPS tensor." ) @property def left_upper_transfer_shape(self) -> Tensor: return self.T4.shape[3] @property def left_lower_transfer_shape(self) -> Tensor: return self.T4.shape[0] @property def right_upper_transfer_shape(self) -> Tensor: return self.T2.shape[3] @property def right_lower_transfer_shape(self) -> Tensor: return self.T2.shape[2] @property def top_left_transfer_shape(self) -> Tensor: return self.T1.shape[0] @property def top_right_transfer_shape(self) -> Tensor: return self.T1.shape[3] @property def bottom_left_transfer_shape(self) -> Tensor: return self.T3.shape[0] @property def bottom_right_transfer_shape(self) -> Tensor: return self.T3.shape[1] @classmethod def from_tensor( cls: Type[T_PEPS_Tensor], tensor: Tensor, d: int, D: Union[int, Sequence[int]], chi: int, max_chi: Optional[int] = None, *, ctm_tensors_are_identities: bool = True, normalize: bool = True, seed: Optional[int] = None, backend: str = "jax", ) -> T_PEPS_Tensor: """ Initialize a PEPS tensor object with a given tensor and new CTM tensors. Args: tensor (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): PEPS tensor to initialize the object with d (:obj:`int`): Physical dimension D (:obj:`int` or :term:`sequence` of :obj:`int`): Bond dimensions for the PEPS tensor chi (:obj:`int`): Bond dimension for the environment tensors max_chi (:obj:`int`): Maximal allowed bond dimension for the environment tensors Keyword args: ctm_tensors_are_identities (:obj:`bool`, optional): Flag if the CTM tensors are initialized as identities. Otherwise, they are initialized randomly. Defaults to True. normalize (:obj:`bool`, optional): Flag if the generated tensors are normalized. Defaults to True. seed (:obj:`int`, optional): Seed for the random number generator. backend (:obj:`str`, optional): Backend for the generated tensors (may be ``jax`` or ``numpy``). Defaults to ``jax``. Returns: PEPS_Tensor: Instance of PEPS_Tensor with the randomly initialized tensors. """ if not is_tensor(tensor): raise ValueError("Invalid argument for tensor.") if isinstance(D, int): D = (D,) * 4 elif isinstance(D, collections.abc.Sequence) and not isinstance(D, tuple): D = tuple(D) if not all(isinstance(i, int) for i in D) or not len(D) == 4: raise ValueError("Invalid argument for D.") if ( tensor.shape[0] != D[0] or tensor.shape[1] != D[1] or tensor.shape[3] != D[2] or tensor.shape[4] != D[3] or tensor.shape[2] != d ): raise ValueError("Tensor dimensions mismatch the dimension arguments.") if max_chi is None: max_chi = chi dtype = tensor.dtype if ctm_tensors_are_identities: C1 = jnp.ones((1, 1), dtype=dtype) C2 = jnp.ones((1, 1), dtype=dtype) C3 = jnp.ones((1, 1), dtype=dtype) C4 = jnp.ones((1, 1), dtype=dtype) T1 = jnp.eye(D[3], dtype=dtype).reshape(1, D[3], D[3], 1) T2 = jnp.eye(D[2], dtype=dtype).reshape(D[2], D[2], 1, 1) T3 = jnp.eye(D[1], dtype=dtype).reshape(1, 1, D[1], D[1]) T4 = jnp.eye(D[0], dtype=dtype).reshape(1, D[0], D[0], 1) else: rng = PEPS_Random_Number_Generator.get_generator(seed, backend=backend) C1 = rng.block((chi, chi), dtype, normalize=normalize) C2 = rng.block((chi, chi), dtype, normalize=normalize) C3 = rng.block((chi, chi), dtype, normalize=normalize) C4 = rng.block((chi, chi), dtype, normalize=normalize) T1 = rng.block((chi, D[3], D[3], chi), dtype, normalize=normalize) T2 = rng.block((D[2], D[2], chi, chi), dtype, normalize=normalize) T3 = rng.block((chi, chi, D[1], D[1]), dtype, normalize=normalize) T4 = rng.block((chi, D[0], D[0], chi), dtype, normalize=normalize) return cls( tensor=tensor, C1=C1, C2=C2, C3=C3, C4=C4, T1=T1, T2=T2, T3=T3, T4=T4, d=d, D=D, # type: ignore chi=chi, max_chi=max_chi, ) @classmethod def random( cls: Type[T_PEPS_Tensor], d: int, D: Union[int, Sequence[int]], chi: int, dtype: Union[Type[np.number], Type[jnp.number]], max_chi: Optional[int] = None, *, ctm_tensors_are_identities: bool = True, normalize: bool = True, seed: Optional[int] = None, backend: str = "jax", ) -> T_PEPS_Tensor: """ Randomly initialize a PEPS tensor with CTM tensors. Args: d (:obj:`int`): Physical dimension D (:obj:`int` or :term:`sequence` of :obj:`int`): Bond dimensions for the PEPS tensor chi (:obj:`int`): Bond dimension for the environment tensors dtype (:obj:`numpy.dtype` or :obj:`jax.numpy.dtype`): Dtype of the generated tensors max_chi (:obj:`int`): Maximal allowed bond dimension for the environment tensors Keyword args: ctm_tensors_are_identities (:obj:`bool`, optional): Flag if the CTM tensors are initialized as identities. Otherwise, they are initialized randomly. Defaults to True. normalize (:obj:`bool`, optional): Flag if the generated tensors are normalized. Defaults to True. seed (:obj:`int`, optional): Seed for the random number generator. backend (:obj:`str`, optional): Backend for the generated tensors (may be ``jax`` or ``numpy``). Defaults to ``jax``. Returns: PEPS_Tensor: Instance of PEPS_Tensor with the randomly initialized tensors. """ if isinstance(D, int): D = (D,) * 4 elif isinstance(D, collections.abc.Sequence) and not isinstance(D, tuple): D = tuple(D) if not all(isinstance(i, int) for i in D) or not len(D) == 4: raise ValueError("Invalid argument for D.") if max_chi is None: max_chi = chi rng = PEPS_Random_Number_Generator.get_generator(seed, backend=backend) tensor = rng.block((D[0], D[1], d, D[2], D[3]), dtype, normalize=normalize) if ctm_tensors_are_identities: C1 = jnp.ones((1, 1), dtype=dtype) C2 = jnp.ones((1, 1), dtype=dtype) C3 = jnp.ones((1, 1), dtype=dtype) C4 = jnp.ones((1, 1), dtype=dtype) T1 = jnp.eye(D[3], dtype=dtype).reshape(1, D[3], D[3], 1) T2 = jnp.eye(D[2], dtype=dtype).reshape(D[2], D[2], 1, 1) T3 = jnp.eye(D[1], dtype=dtype).reshape(1, 1, D[1], D[1]) T4 = jnp.eye(D[0], dtype=dtype).reshape(1, D[0], D[0], 1) else: C1 = rng.block((chi, chi), dtype, normalize=normalize) C2 = rng.block((chi, chi), dtype, normalize=normalize) C3 = rng.block((chi, chi), dtype, normalize=normalize) C4 = rng.block((chi, chi), dtype, normalize=normalize) T1 = rng.block((chi, D[3], D[3], chi), dtype, normalize=normalize) T2 = rng.block((D[2], D[2], chi, chi), dtype, normalize=normalize) T3 = rng.block((chi, chi, D[1], D[1]), dtype, normalize=normalize) T4 = rng.block((chi, D[0], D[0], chi), dtype, normalize=normalize) return cls( tensor=tensor, C1=C1, C2=C2, C3=C3, C4=C4, T1=T1, T2=T2, T3=T3, T4=T4, d=d, D=D, # type: ignore chi=chi, max_chi=max_chi, ) def replace_tensor( self: T_PEPS_Tensor, new_tensor: Tensor, *, reinitialize_env_as_identities: bool = True, new_D: Optional[Tuple[int, int, int, int]] = None, ) -> T_PEPS_Tensor: """ Replace the PEPS tensor and returns new object of the class. Args: new_tensor (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New PEPS tensor. Keyword args: reinitialize_env_as_identities (:obj:`bool`): Reinitialize the CTM tensors as identities. new_D (:obj:`tuple` of four :obj:`int`, optional): Tuple of new iPEPS bond dimensions if tensor has changed dimensions Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensor replaced. """ if new_D is None: new_D = self.D elif not isinstance(new_D, tuple) and len(new_D) != 4: raise ValueError("Invalid argument for parameter new_D") if reinitialize_env_as_identities: return type(self)( tensor=new_tensor, C1=jnp.ones((1, 1), dtype=self.C1.dtype), C2=jnp.ones((1, 1), dtype=self.C2.dtype), C3=jnp.ones((1, 1), dtype=self.C3.dtype), C4=jnp.ones((1, 1), dtype=self.C4.dtype), T1=jnp.eye(new_D[3], dtype=self.T1.dtype).reshape( 1, new_D[3], new_D[3], 1 ), T2=jnp.eye(new_D[2], dtype=self.T2.dtype).reshape( new_D[2], new_D[2], 1, 1 ), T3=jnp.eye(new_D[1], dtype=self.T3.dtype).reshape( 1, 1, new_D[1], new_D[1] ), T4=jnp.eye(new_D[0], dtype=self.T4.dtype).reshape( 1, new_D[0], new_D[0], 1 ), d=self.d, D=new_D, chi=self.chi, max_chi=self.max_chi, ) else: return type(self)( tensor=new_tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, T1=self.T1, T2=self.T2, T3=self.T3, T4=self.T4, d=self.d, D=new_D, chi=self.chi, max_chi=self.max_chi, ) def change_chi( self: T_PEPS_Tensor, new_chi: int, *, reinitialize_env_as_identities: bool = True, reset_max_chi: bool = False, ) -> T_PEPS_Tensor: """ Change the environment bond dimension and returns new object of the class. Args: new_chi (:obj:`int`): New value for environment bond dimension. Keyword args: reinitialize_env_as_identities (:obj:`bool`): Reinitialize the CTM tensors as identities if decreasing the dimension. reset_max_chi (:obj:`bool`): Set maximal bond dimension to the same new value. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the increased value. """ new_max_chi = new_chi if reset_max_chi else self.max_chi if new_chi > new_max_chi: raise ValueError( "Increase above the max value for environment bond dimension." ) if new_chi < self.chi and reinitialize_env_as_identities: return type(self)( tensor=self.tensor, C1=jnp.ones((1, 1), dtype=self.C1.dtype), C2=jnp.ones((1, 1), dtype=self.C2.dtype), C3=jnp.ones((1, 1), dtype=self.C3.dtype), C4=jnp.ones((1, 1), dtype=self.C4.dtype), T1=jnp.eye(self.D[3], dtype=self.T1.dtype).reshape( 1, self.D[3], self.D[3], 1 ), T2=jnp.eye(self.D[2], dtype=self.T2.dtype).reshape( self.D[2], self.D[2], 1, 1 ), T3=jnp.eye(self.D[1], dtype=self.T3.dtype).reshape( 1, 1, self.D[1], self.D[1] ), T4=jnp.eye(self.D[0], dtype=self.T4.dtype).reshape( 1, self.D[0], self.D[0], 1 ), d=self.d, D=self.D, chi=new_chi, max_chi=new_max_chi, tensor_conj=self.tensor_conj, ) else: return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, T1=self.T1, T2=self.T2, T3=self.T3, T4=self.T4, d=self.d, D=self.D, chi=new_chi, max_chi=new_max_chi, tensor_conj=self.tensor_conj, ) def increase_max_chi( self: T_PEPS_Tensor, new_max_chi: int, ) -> T_PEPS_Tensor: """ Change the maximal environment bond dimension and returns new object of the class. Args: new_max_chi (:obj:`int`): New value for maximal environment bond dimension. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the increased value. """ if new_max_chi < self.max_chi: raise ValueError( "Decrease below the old max value for environment bond dimension." ) return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, T1=self.T1, T2=self.T2, T3=self.T3, T4=self.T4, d=self.d, D=self.D, chi=self.chi, max_chi=new_max_chi, tensor_conj=self.tensor_conj, ) def replace_left_env_tensors( self: T_PEPS_Tensor, new_C1: Tensor, new_T4: Tensor, new_C4: Tensor ) -> T_PEPS_Tensor: """ Replace the left CTMRG tensors and returns new object of the class. Args: new_C1 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C1 tensor. new_T4 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T4 tensor. new_C4 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C4 tensor. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=new_C1, C2=self.C2, C3=self.C3, C4=new_C4, T1=self.T1, T2=self.T2, T3=self.T3, T4=new_T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, tensor_conj=self.tensor_conj, ) def replace_right_env_tensors( self: T_PEPS_Tensor, new_C2: Tensor, new_T2: Tensor, new_C3: Tensor ) -> T_PEPS_Tensor: """ Replace the right CTMRG tensors and returns new object of the class. Args: new_C2 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C2 tensor. new_T2 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T2 tensor. new_C3 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C3 tensor. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=self.C1, C2=new_C2, C3=new_C3, C4=self.C4, T1=self.T1, T2=new_T2, T3=self.T3, T4=self.T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, tensor_conj=self.tensor_conj, ) def replace_top_env_tensors( self: T_PEPS_Tensor, new_C1: Tensor, new_T1: Tensor, new_C2: Tensor ) -> T_PEPS_Tensor: """ Replace the top CTMRG tensors and returns new object of the class. Args: new_C1 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C1 tensor. new_T1 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T1 tensor. new_C2 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C2 tensor. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=new_C1, C2=new_C2, C3=self.C3, C4=self.C4, T1=new_T1, T2=self.T2, T3=self.T3, T4=self.T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, tensor_conj=self.tensor_conj, ) def replace_bottom_env_tensors( self: T_PEPS_Tensor, new_C4: Tensor, new_T3: Tensor, new_C3: Tensor ) -> T_PEPS_Tensor: """ Replace the bottom CTMRG tensors and returns new object of the class. Args: new_C4 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C4 tensor. new_T3 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T3 tensor. new_C3 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C3 tensor. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=new_C3, C4=new_C4, T1=self.T1, T2=self.T2, T3=new_T3, T4=self.T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, tensor_conj=self.tensor_conj, ) def replace_C1(self: T_PEPS_Tensor, new_C1: Tensor) -> T_PEPS_Tensor: """ Replace the C1 and returns new object of the class. Args: new_C1 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C1 tensor. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=new_C1, C2=self.C2, C3=self.C3, C4=self.C4, T1=self.T1, T2=self.T2, T3=self.T3, T4=self.T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, tensor_conj=self.tensor_conj, ) def replace_C2(self: T_PEPS_Tensor, new_C2: Tensor) -> T_PEPS_Tensor: """ Replace the C2 and returns new object of the class. Args: new_C2 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C2 tensor. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=self.C1, C2=new_C2, C3=self.C3, C4=self.C4, T1=self.T1, T2=self.T2, T3=self.T3, T4=self.T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, tensor_conj=self.tensor_conj, ) def replace_C3(self: T_PEPS_Tensor, new_C3: Tensor) -> T_PEPS_Tensor: """ Replace the C3 and returns new object of the class. Args: new_C3 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C3 tensor. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=new_C3, C4=self.C4, T1=self.T1, T2=self.T2, T3=self.T3, T4=self.T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, tensor_conj=self.tensor_conj, ) def replace_C4(self: T_PEPS_Tensor, new_C4: Tensor) -> T_PEPS_Tensor: """ Replace the C4 and returns new object of the class. Args: new_C4 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C4 tensor. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=new_C4, T1=self.T1, T2=self.T2, T3=self.T3, T4=self.T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, tensor_conj=self.tensor_conj, ) def replace_T1(self: T_PEPS_Tensor, new_T1: Tensor) -> T_PEPS_Tensor: """ Replace the T1 and returns new object of the class. Args: new_T1 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T1 tensor. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, T1=new_T1, T2=self.T2, T3=self.T3, T4=self.T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, tensor_conj=self.tensor_conj, ) def replace_T2(self: T_PEPS_Tensor, new_T2: Tensor) -> T_PEPS_Tensor: """ Replace the T2 and returns new object of the class. Args: new_T2 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T2 tensor. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, T1=self.T1, T2=new_T2, T3=self.T3, T4=self.T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, tensor_conj=self.tensor_conj, ) def replace_T3(self: T_PEPS_Tensor, new_T3: Tensor) -> T_PEPS_Tensor: """ Replace the T3 and returns new object of the class. Args: new_T3 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T3 tensor. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, T1=self.T1, T2=self.T2, T3=new_T3, T4=self.T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, tensor_conj=self.tensor_conj, ) def replace_T4(self: T_PEPS_Tensor, new_T4: Tensor) -> T_PEPS_Tensor: """ Replace the T4 and returns new object of the class. Args: new_T4 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T4 tensor. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, T1=self.T1, T2=self.T2, T3=self.T3, T4=new_T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, tensor_conj=self.tensor_conj, ) def replace_C1_C3( self: T_PEPS_Tensor, new_C1: Tensor, new_C3: Tensor ) -> T_PEPS_Tensor: """ Replace C1 and C3 tensors and returns new object of the class. Args: new_C1 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C1 tensor. new_C3 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C4 tensor. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=new_C1, C2=self.C2, C3=new_C3, C4=self.C4, T1=self.T1, T2=self.T2, T3=self.T3, T4=self.T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, tensor_conj=self.tensor_conj, ) def replace_T1_C2_T2_T3_C4_T4( self: T_PEPS_Tensor, new_T1: Tensor, new_C2: Tensor, new_T2: Tensor, new_T3: Tensor, new_C4: Tensor, new_T4: Tensor, ) -> T_PEPS_Tensor: """ Replace all but C1 and C3 tensors and returns new object of the class. Args: new_T1 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T1 tensor. new_C2 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C2 tensor. new_T2 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T2 tensor. new_T3 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T3 tensor. new_C4 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C4 tensor. new_T4 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T4 tensor. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=self.C1, C2=new_C2, C3=self.C3, C4=new_C4, T1=new_T1, T2=new_T2, T3=new_T3, T4=new_T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, tensor_conj=self.tensor_conj, ) def __add__( self: T_PEPS_Tensor, other: T_PEPS_Tensor, *, checks: bool = True ) -> T_PEPS_Tensor: """ Add the environment tensors of two PEPS tensors. Args: other (:obj:`~varipeps.peps.PEPS_Tensor`): Other PEPS tensor object which should be added to this one. Keyword args: checks (:obj:`bool`): Enable checks that the addition of the two tensor objects makes sense. Maybe disabled for jax transformations. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance with the added env tensors. """ if checks and ( self.tensor is not other.tensor or self.d != other.d or self.D != other.D or self.chi != other.chi ): raise ValueError( "Both PEPS tensors must have the same tensor, d, D and chi values." ) return PEPS_Tensor( tensor=self.tensor, C1=self.C1 + other.C1, C2=self.C2 + other.C2, C3=self.C3 + other.C3, C4=self.C4 + other.C4, T1=self.T1 + other.T1, T2=self.T2 + other.T2, T3=self.T3 + other.T3, T4=self.T4 + other.T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, tensor_conj=self.tensor_conj, ) def __sub__( self: T_PEPS_Tensor, other: T_PEPS_Tensor, *, checks: bool = True ) -> T_PEPS_Tensor: """ Subtract the environment tensors of two PEPS tensors. Args: other (:obj:`~varipeps.peps.PEPS_Tensor`): Other PEPS tensor object which should be subtracted to this one. Keyword args: checks (:obj:`bool`): Enable checks that the addition of the two tensor objects makes sense. Maybe disabled for jax transformations. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance with the subtracted env tensors. """ if checks and ( self.tensor is not other.tensor or self.d != other.d or self.D != other.D or self.chi != other.chi ): raise ValueError( "Both PEPS tensors must have the same tensor, d, D and chi values." ) return PEPS_Tensor( tensor=self.tensor, C1=self.C1 - other.C1, C2=self.C2 - other.C2, C3=self.C3 - other.C3, C4=self.C4 - other.C4, T1=self.T1 - other.T1, T2=self.T2 - other.T2, T3=self.T3 - other.T3, T4=self.T4 - other.T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, tensor_conj=self.tensor_conj, ) @classmethod def zeros_like(cls: Type[T_PEPS_Tensor], t: T_PEPS_Tensor) -> T_PEPS_Tensor: """ Create a PEPS tensor with same shape as another one but with zeros everywhere. Args: t (:obj:`~varipeps.peps.PEPS_Tensor`): Other PEPS tensor object whose shape should be copied. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance with the zero initialized tensors. """ return cls( tensor=jnp.zeros_like(t.tensor), C1=jnp.zeros_like(t.C1), C2=jnp.zeros_like(t.C2), C3=jnp.zeros_like(t.C3), C4=jnp.zeros_like(t.C4), T1=jnp.zeros_like(t.T1), T2=jnp.zeros_like(t.T2), T3=jnp.zeros_like(t.T3), T4=jnp.zeros_like(t.T4), d=t.d, D=t.D, chi=t.chi, max_chi=t.max_chi, ) def zeros_like_self(self: T_PEPS_Tensor) -> T_PEPS_Tensor: """ Wrapper around :obj:`~varipeps.peps.PEPS_Tensor.zeros_like` with the self object as argument. For details see there. """ return type(self).zeros_like(self) def save_to_group(self, grp: h5py.Group) -> None: """ Store the PEPS tensor into a HDF5 group. Args: grp (:obj:`h5py.Group`): HDF5 group object to save the data into. """ grp.attrs["d"] = self.d grp.attrs["D"] = self.D grp.attrs["chi"] = self.chi grp.attrs["max_chi"] = self.max_chi grp.create_dataset( "tensor", data=self.tensor, compression="gzip", compression_opts=6 ) grp.create_dataset("C1", data=self.C1, compression="gzip", compression_opts=6) grp.create_dataset("C2", data=self.C2, compression="gzip", compression_opts=6) grp.create_dataset("C3", data=self.C3, compression="gzip", compression_opts=6) grp.create_dataset("C4", data=self.C4, compression="gzip", compression_opts=6) grp.create_dataset("T1", data=self.T1, compression="gzip", compression_opts=6) grp.create_dataset("T2", data=self.T2, compression="gzip", compression_opts=6) grp.create_dataset("T3", data=self.T3, compression="gzip", compression_opts=6) grp.create_dataset("T4", data=self.T4, compression="gzip", compression_opts=6) @classmethod def load_from_group(cls: Type[T_PEPS_Tensor], grp: h5py.Group) -> T_PEPS_Tensor: """ Load the PEPS tensor from a HDF5 group. Args: grp (:obj:`h5py.Group`): HDF5 group object to load the data from. """ d = int(grp.attrs["d"]) D = tuple(int(i) for i in grp.attrs["D"]) chi = int(grp.attrs["chi"]) try: max_chi = int(grp.attrs["max_chi"]) except KeyError: max_chi = chi tensor = jnp.asarray(grp["tensor"]) C1 = jnp.asarray(grp["C1"]) C2 = jnp.asarray(grp["C2"]) C3 = jnp.asarray(grp["C3"]) C4 = jnp.asarray(grp["C4"]) T1 = jnp.asarray(grp["T1"]) T2 = jnp.asarray(grp["T2"]) T3 = jnp.asarray(grp["T3"]) T4 = jnp.asarray(grp["T4"]) return cls( tensor=tensor, C1=C1, C2=C2, C3=C3, C4=C4, T1=T1, T2=T2, T3=T3, T4=T4, d=d, D=D, chi=chi, max_chi=max_chi, ) @property def is_split_transfer(self: T_PEPS_Tensor) -> bool: return False @property def peps_type(self) -> PEPS_Type: return PEPS_Type.SQUARE def convert_to_split_transfer( self: T_PEPS_Tensor, interlayer_chi: Optional[int] = None ) -> T_PEPS_Tensor_Split_Transfer: if interlayer_chi is None: interlayer_chi = self.chi return PEPS_Tensor_Split_Transfer( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, T1=self.T1, T2=self.T2, T3=self.T3, T4=self.T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, interlayer_chi=interlayer_chi, tensor_conj=self.tensor_conj, ) def convert_to_full_transfer(self: T_PEPS_Tensor) -> T_PEPS_Tensor: return self def tree_flatten(self) -> Tuple[Tuple[Any, ...], Tuple[Any, ...]]: data = ( self.tensor, self.C1, self.C2, self.C3, self.C4, self.T1, self.T2, self.T3, self.T4, self.tensor_conj, ) aux_data = (self.d, self.D, self.chi, self.max_chi) return (data, aux_data) @classmethod def tree_unflatten( cls: Type[T_PEPS_Tensor], aux_data: Tuple[Any, ...], children: Tuple[Any, ...] ) -> T_PEPS_Tensor: tensor, C1, C2, C3, C4, T1, T2, T3, T4, tensor_conj = children d, D, chi, max_chi = aux_data return cls( tensor=tensor, C1=C1, C2=C2, C3=C3, C4=C4, T1=T1, T2=T2, T3=T3, T4=T4, d=d, D=D, chi=chi, max_chi=max_chi, sanity_checks=False, tensor_conj=tensor_conj, ) @dataclass @register_pytree_node_class class PEPS_Tensor_Structure_Factor(PEPS_Tensor): """ Class to model a single a PEPS tensor with the corresponding CTM tensors. Args: tensor (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): PEPS tensor C1 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C1 tensor C2 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C2 tensor C3 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C3 tensor C4 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C4 tensor T1 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T1 tensor T2 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T2 tensor T3 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T3 tensor T4 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T4 tensor C1_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C1 tensor including structure factor phase C2_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C2 tensor including structure factor phase C3_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C3 tensor including structure factor phase C4_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C4 tensor including structure factor phase T1_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T1 tensor including structure factor phase T2_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T2 tensor including structure factor phase T3_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T3 tensor including structure factor phase T4_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T4 tensor including structure factor phase d (:obj:`int`): Physical dimension of the PEPS tensor D (:term:`sequence` of :obj:`int`): Sequence of the bond dimensions of the PEPS tensor chi (:obj:`int`): Bond dimension for the CTM tensors max_chi (:obj:`int`): Maximal allowed bond dimension of environment tensors. """ C1_phase: Tensor = None C2_phase: Tensor = None C3_phase: Tensor = None C4_phase: Tensor = None T1_phase: Tensor = None T2_phase: Tensor = None T3_phase: Tensor = None T4_phase: Tensor = None def __post_init__(self) -> None: super().__post_init__() if not ( self.T1_phase.shape[1] == self.T1_phase.shape[2] == self.D[3] and self.T2_phase.shape[0] == self.T2_phase.shape[1] == self.D[2] and self.T3_phase.shape[2] == self.T3_phase.shape[3] == self.D[1] and self.T4_phase.shape[1] == self.T4_phase.shape[2] == self.D[0] ): raise ValueError( "At least one transfer tensors mismatch bond dimensions of PEPS tensor." ) @classmethod def from_tensor( cls: Type[T_PEPS_Tensor], tensor: Tensor, d: int, D: Union[int, Sequence[int]], chi: int, max_chi: Optional[int] = None, *, ctm_tensors_are_identities: bool = True, normalize: bool = True, seed: Optional[int] = None, backend: str = "jax", ) -> T_PEPS_Tensor: """ Initialize a PEPS tensor object with a given tensor and new CTM tensors. Args: tensor (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): PEPS tensor to initialize the object with d (:obj:`int`): Physical dimension D (:obj:`int` or :term:`sequence` of :obj:`int`): Bond dimensions for the PEPS tensor chi (:obj:`int`): Bond dimension for the environment tensors max_chi (:obj:`int`): Maximal allowed bond dimension for the environment tensors Keyword args: ctm_tensors_are_identities (:obj:`bool`, optional): Flag if the CTM tensors are initialized as identities. Otherwise, they are initialized randomly. Defaults to True. normalize (:obj:`bool`, optional): Flag if the generated tensors are normalized. Defaults to True. seed (:obj:`int`, optional): Seed for the random number generator. backend (:obj:`str`, optional): Backend for the generated tensors (may be ``jax`` or ``numpy``). Defaults to ``jax``. Returns: PEPS_Tensor: Instance of PEPS_Tensor with the randomly initialized tensors. """ if not is_tensor(tensor): raise ValueError("Invalid argument for tensor.") if isinstance(D, int): D = (D,) * 4 elif isinstance(D, collections.abc.Sequence) and not isinstance(D, tuple): D = tuple(D) if not all(isinstance(i, int) for i in D) or not len(D) == 4: raise ValueError("Invalid argument for D.") if ( tensor.shape[0] != D[0] or tensor.shape[1] != D[1] or tensor.shape[3] != D[2] or tensor.shape[4] != D[3] or tensor.shape[2] != d ): raise ValueError("Tensor dimensions mismatch the dimension arguments.") if max_chi is None: max_chi = chi dtype = tensor.dtype if ctm_tensors_are_identities: C1 = jnp.ones((1, 1), dtype=dtype) C2 = jnp.ones((1, 1), dtype=dtype) C3 = jnp.ones((1, 1), dtype=dtype) C4 = jnp.ones((1, 1), dtype=dtype) T1 = jnp.eye(D[3], dtype=dtype).reshape(1, D[3], D[3], 1) T2 = jnp.eye(D[2], dtype=dtype).reshape(D[2], D[2], 1, 1) T3 = jnp.eye(D[1], dtype=dtype).reshape(1, 1, D[1], D[1]) T4 = jnp.eye(D[0], dtype=dtype).reshape(1, D[0], D[0], 1) C1_phase = jnp.ones((1, 1), dtype=dtype) C2_phase = jnp.ones((1, 1), dtype=dtype) C3_phase = jnp.ones((1, 1), dtype=dtype) C4_phase = jnp.ones((1, 1), dtype=dtype) T1_phase = jnp.eye(D[3], dtype=dtype).reshape(1, D[3], D[3], 1) T2_phase = jnp.eye(D[2], dtype=dtype).reshape(D[2], D[2], 1, 1) T3_phase = jnp.eye(D[1], dtype=dtype).reshape(1, 1, D[1], D[1]) T4_phase = jnp.eye(D[0], dtype=dtype).reshape(1, D[0], D[0], 1) else: rng = PEPS_Random_Number_Generator.get_generator(seed, backend=backend) C1 = rng.block((chi, chi), dtype, normalize=normalize) C2 = rng.block((chi, chi), dtype, normalize=normalize) C3 = rng.block((chi, chi), dtype, normalize=normalize) C4 = rng.block((chi, chi), dtype, normalize=normalize) T1 = rng.block((chi, D[3], D[3], chi), dtype, normalize=normalize) T2 = rng.block((D[2], D[2], chi, chi), dtype, normalize=normalize) T3 = rng.block((chi, chi, D[1], D[1]), dtype, normalize=normalize) T4 = rng.block((chi, D[0], D[0], chi), dtype, normalize=normalize) C1_phase = rng.block((chi, chi), dtype, normalize=normalize) C2_phase = rng.block((chi, chi), dtype, normalize=normalize) C3_phase = rng.block((chi, chi), dtype, normalize=normalize) C4_phase = rng.block((chi, chi), dtype, normalize=normalize) T1_phase = rng.block((chi, D[3], D[3], chi), dtype, normalize=normalize) T2_phase = rng.block((D[2], D[2], chi, chi), dtype, normalize=normalize) T3_phase = rng.block((chi, chi, D[1], D[1]), dtype, normalize=normalize) T4_phase = rng.block((chi, D[0], D[0], chi), dtype, normalize=normalize) return cls( tensor=tensor, C1=C1, C2=C2, C3=C3, C4=C4, T1=T1, T2=T2, T3=T3, T4=T4, C1_phase=C1_phase, C2_phase=C2_phase, C3_phase=C3_phase, C4_phase=C4_phase, T1_phase=T1_phase, T2_phase=T2_phase, T3_phase=T3_phase, T4_phase=T4_phase, d=d, D=D, # type: ignore chi=chi, max_chi=max_chi, ) def change_chi( self: T_PEPS_Tensor, new_chi: int, *, reinitialize_env_as_identities: bool = True, reset_max_chi: bool = False, ) -> T_PEPS_Tensor: """ Change the environment bond dimension and returns new object of the class. Args: new_chi (:obj:`int`): New value for environment bond dimension. Keyword args: reinitialize_env_as_identities (:obj:`bool`): Reinitialize the CTM tensors as identities if decreasing the dimension. reset_max_chi (:obj:`bool`): Set maximal bond dimension to the same new value. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the increased value. """ new_max_chi = new_chi if reset_max_chi else self.max_chi if new_chi > new_max_chi: raise ValueError( "Increase above the max value for environment bond dimension." ) if new_chi < self.chi and reinitialize_env_as_identities: return type(self)( tensor=self.tensor, C1=jnp.ones((1, 1), dtype=self.C1.dtype), C2=jnp.ones((1, 1), dtype=self.C2.dtype), C3=jnp.ones((1, 1), dtype=self.C3.dtype), C4=jnp.ones((1, 1), dtype=self.C4.dtype), T1=jnp.eye(self.D[3], dtype=self.T1.dtype).reshape( 1, self.D[3], self.D[3], 1 ), T2=jnp.eye(self.D[2], dtype=self.T2.dtype).reshape( self.D[2], self.D[2], 1, 1 ), T3=jnp.eye(self.D[1], dtype=self.T3.dtype).reshape( 1, 1, self.D[1], self.D[1] ), T4=jnp.eye(self.D[0], dtype=self.T4.dtype).reshape( 1, self.D[0], self.D[0], 1 ), C1_phase=jnp.ones((1, 1), dtype=self.C1_phase.dtype), C2_phase=jnp.ones((1, 1), dtype=self.C2_phase.dtype), C3_phase=jnp.ones((1, 1), dtype=self.C3_phase.dtype), C4_phase=jnp.ones((1, 1), dtype=self.C4_phase.dtype), T1_phase=jnp.eye(self.D[3], dtype=self.T1_phase.dtype).reshape( 1, self.D[3], self.D[3], 1 ), T2_phase=jnp.eye(self.D[2], dtype=self.T2_phase.dtype).reshape( self.D[2], self.D[2], 1, 1 ), T3_phase=jnp.eye(self.D[1], dtype=self.T3_phase.dtype).reshape( 1, 1, self.D[1], self.D[1] ), T4_phase=jnp.eye(self.D[0], dtype=self.T4_phase.dtype).reshape( 1, self.D[0], self.D[0], 1 ), d=self.d, D=self.D, chi=new_chi, max_chi=new_max_chi, ) else: return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, T1=self.T1, T2=self.T2, T3=self.T3, T4=self.T4, C1_phase=self.C1_phase, C2_phase=self.C2_phase, C3_phase=self.C3_phase, C4_phase=self.C4_phase, T1_phase=self.T1_phase, T2_phase=self.T2_phase, T3_phase=self.T3_phase, T4_phase=self.T4_phase, d=self.d, D=self.D, chi=new_chi, max_chi=new_max_chi, ) def increase_max_chi( self: T_PEPS_Tensor, new_max_chi: int, ) -> T_PEPS_Tensor: """ Change the maximal environment bond dimension and returns new object of the class. Args: new_max_chi (:obj:`int`): New value for maximal environment bond dimension. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the increased value. """ if new_max_chi < self.max_chi: raise ValueError( "Decrease below the old max value for environment bond dimension." ) return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, T1=self.T1, T2=self.T2, T3=self.T3, T4=self.T4, C1_phase=self.C1_phase, C2_phase=self.C2_phase, C3_phase=self.C3_phase, C4_phase=self.C4_phase, T1_phase=self.T1_phase, T2_phase=self.T2_phase, T3_phase=self.T3_phase, T4_phase=self.T4_phase, d=self.d, D=self.D, chi=self.chi, max_chi=new_max_chi, ) def replace_left_env_tensors( self: T_PEPS_Tensor, new_C1: Tensor, new_T4: Tensor, new_C4: Tensor, new_C1_phase: Tensor, new_T4_phase: Tensor, new_C4_phase: Tensor, ) -> T_PEPS_Tensor: """ Replace the left CTMRG tensors and returns new object of the class. Args: new_C1 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C1 tensor. new_T4 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T4 tensor. new_C4 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C4 tensor. new_C1_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C1 tensor including structure factor phase. new_T4_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T4 tensor including structure factor phase. new_C4_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C4 tensor including structure factor phase. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=new_C1, C2=self.C2, C3=self.C3, C4=new_C4, T1=self.T1, T2=self.T2, T3=self.T3, T4=new_T4, C1_phase=new_C1_phase, C2_phase=self.C2_phase, C3_phase=self.C3_phase, C4_phase=new_C4_phase, T1_phase=self.T1_phase, T2_phase=self.T2_phase, T3_phase=self.T3_phase, T4_phase=new_T4_phase, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, ) def replace_right_env_tensors( self: T_PEPS_Tensor, new_C2: Tensor, new_T2: Tensor, new_C3: Tensor, new_C2_phase: Tensor, new_T2_phase: Tensor, new_C3_phase: Tensor, ) -> T_PEPS_Tensor: """ Replace the right CTMRG tensors and returns new object of the class. Args: new_C2 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C2 tensor. new_T2 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T2 tensor. new_C3 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C3 tensor. new_C2_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C2 tensor including structure factor phase. new_T2_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T2 tensor including structure factor phase. new_C3_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C3 tensor including structure factor phase. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=self.C1, C2=new_C2, C3=new_C3, C4=self.C4, T1=self.T1, T2=new_T2, T3=self.T3, T4=self.T4, C1_phase=self.C1_phase, C2_phase=new_C2_phase, C3_phase=new_C3_phase, C4_phase=self.C4_phase, T1_phase=self.T1_phase, T2_phase=new_T2_phase, T3_phase=self.T3_phase, T4_phase=self.T4_phase, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, ) def replace_top_env_tensors( self: T_PEPS_Tensor, new_C1: Tensor, new_T1: Tensor, new_C2: Tensor, new_C1_phase: Tensor, new_T1_phase: Tensor, new_C2_phase: Tensor, ) -> T_PEPS_Tensor: """ Replace the top CTMRG tensors and returns new object of the class. Args: new_C1 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C1 tensor. new_T1 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T1 tensor. new_C2 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C2 tensor. new_C1_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C1 tensor including structure factor phase. new_T1_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T1 tensor including structure factor phase. new_C2_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C2 tensor including structure factor phase. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=new_C1, C2=new_C2, C3=self.C3, C4=self.C4, T1=new_T1, T2=self.T2, T3=self.T3, T4=self.T4, C1_phase=new_C1_phase, C2_phase=new_C2_phase, C3_phase=self.C3_phase, C4_phase=self.C4_phase, T1_phase=new_T1_phase, T2_phase=self.T2_phase, T3_phase=self.T3_phase, T4_phase=self.T4_phase, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, ) def replace_bottom_env_tensors( self: T_PEPS_Tensor, new_C4: Tensor, new_T3: Tensor, new_C3: Tensor, new_C4_phase: Tensor, new_T3_phase: Tensor, new_C3_phase: Tensor, ) -> T_PEPS_Tensor: """ Replace the bottom CTMRG tensors and returns new object of the class. Args: new_C4 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C4 tensor. new_T3 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T3 tensor. new_C3 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C3 tensor. new_C4_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C4 tensor including structure factor phase. new_T3_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New T3 tensor including structure factor phase. new_C3_phase (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C3 tensor including structure factor phase. Returns: :obj:`~varipeps.peps.PEPS_Tensor`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=new_C3, C4=new_C4, T1=self.T1, T2=self.T2, T3=new_T3, T4=self.T4, C1_phase=self.C1_phase, C2_phase=self.C2_phase, C3_phase=new_C3_phase, C4_phase=new_C4_phase, T1_phase=self.T1_phase, T2_phase=self.T2_phase, T3_phase=new_T3_phase, T4_phase=self.T4_phase, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, ) def save_to_group(self, grp: h5py.Group) -> None: """ Store the PEPS tensor into a HDF5 group. Args: grp (:obj:`h5py.Group`): HDF5 group object to save the data into. """ grp.attrs["d"] = self.d grp.attrs["D"] = self.D grp.attrs["chi"] = self.chi grp.attrs["max_chi"] = self.max_chi grp.create_dataset( "tensor", data=self.tensor, compression="gzip", compression_opts=6 ) grp.create_dataset("C1", data=self.C1, compression="gzip", compression_opts=6) grp.create_dataset("C2", data=self.C2, compression="gzip", compression_opts=6) grp.create_dataset("C3", data=self.C3, compression="gzip", compression_opts=6) grp.create_dataset("C4", data=self.C4, compression="gzip", compression_opts=6) grp.create_dataset("T1", data=self.T1, compression="gzip", compression_opts=6) grp.create_dataset("T2", data=self.T2, compression="gzip", compression_opts=6) grp.create_dataset("T3", data=self.T3, compression="gzip", compression_opts=6) grp.create_dataset("T4", data=self.T4, compression="gzip", compression_opts=6) grp.create_dataset( "C1_phase", data=self.C1_phase, compression="gzip", compression_opts=6 ) grp.create_dataset( "C2_phase", data=self.C2_phase, compression="gzip", compression_opts=6 ) grp.create_dataset( "C3_phase", data=self.C3_phase, compression="gzip", compression_opts=6 ) grp.create_dataset( "C4_phase", data=self.C4_phase, compression="gzip", compression_opts=6 ) grp.create_dataset( "T1_phase", data=self.T1_phase, compression="gzip", compression_opts=6 ) grp.create_dataset( "T2_phase", data=self.T2_phase, compression="gzip", compression_opts=6 ) grp.create_dataset( "T3_phase", data=self.T3_phase, compression="gzip", compression_opts=6 ) grp.create_dataset( "T4_phase", data=self.T4_phase, compression="gzip", compression_opts=6 ) @classmethod def load_from_group(cls: Type[T_PEPS_Tensor], grp: h5py.Group) -> T_PEPS_Tensor: """ Load the PEPS tensor from a HDF5 group. Args: grp (:obj:`h5py.Group`): HDF5 group object to load the data from. """ d = int(grp.attrs["d"]) D = tuple(int(i) for i in grp.attrs["D"]) chi = int(grp.attrs["chi"]) try: max_chi = int(grp.attrs["max_chi"]) except KeyError: max_chi = chi tensor = jnp.asarray(grp["tensor"]) C1 = jnp.asarray(grp["C1"]) C2 = jnp.asarray(grp["C2"]) C3 = jnp.asarray(grp["C3"]) C4 = jnp.asarray(grp["C4"]) T1 = jnp.asarray(grp["T1"]) T2 = jnp.asarray(grp["T2"]) T3 = jnp.asarray(grp["T3"]) T4 = jnp.asarray(grp["T4"]) C1_phase = jnp.asarray(grp["C1_phase"]) C2_phase = jnp.asarray(grp["C2_phase"]) C3_phase = jnp.asarray(grp["C3_phase"]) C4_phase = jnp.asarray(grp["C4_phase"]) T1_phase = jnp.asarray(grp["T1_phase"]) T2_phase = jnp.asarray(grp["T2_phase"]) T3_phase = jnp.asarray(grp["T3_phase"]) T4_phase = jnp.asarray(grp["T4_phase"]) return cls( tensor=tensor, C1=C1, C2=C2, C3=C3, C4=C4, T1=T1, T2=T2, T3=T3, T4=T4, C1_phase=C1_phase, C2_phase=C2_phase, C3_phase=C3_phase, C4_phase=C4_phase, T1_phase=T1_phase, T2_phase=T2_phase, T3_phase=T3_phase, T4_phase=T4_phase, d=d, D=D, chi=chi, max_chi=max_chi, ) def tree_flatten(self) -> Tuple[Tuple[Any, ...], Tuple[Any, ...]]: data = ( self.tensor, self.C1, self.C2, self.C3, self.C4, self.T1, self.T2, self.T3, self.T4, self.C1_phase, self.C2_phase, self.C3_phase, self.C4_phase, self.T1_phase, self.T2_phase, self.T3_phase, self.T4_phase, ) aux_data = (self.d, self.D, self.chi, self.max_chi) return (data, aux_data) @classmethod def tree_unflatten( cls: Type[T_PEPS_Tensor], aux_data: Tuple[Any, ...], children: Tuple[Any, ...] ) -> T_PEPS_Tensor: ( tensor, C1, C2, C3, C4, T1, T2, T3, T4, C1_phase, C2_phase, C3_phase, C4_phase, T1_phase, T2_phase, T3_phase, T4_phase, ) = children d, D, chi, max_chi = aux_data return cls( tensor=tensor, C1=C1, C2=C2, C3=C3, C4=C4, T1=T1, T2=T2, T3=T3, T4=T4, C1_phase=C1_phase, C2_phase=C2_phase, C3_phase=C3_phase, C4_phase=C4_phase, T1_phase=T1_phase, T2_phase=T2_phase, T3_phase=T3_phase, T4_phase=T4_phase, d=d, D=D, chi=chi, max_chi=max_chi, sanity_checks=False, ) @dataclass @register_pytree_node_class class PEPS_Tensor_Split_Transfer(PEPS_Tensor): T1: Optional[Tensor] = None T2: Optional[Tensor] = None T3: Optional[Tensor] = None T4: Optional[Tensor] = None T1_ket: Optional[Tensor] = None T1_bra: Optional[Tensor] = None T2_ket: Optional[Tensor] = None T2_bra: Optional[Tensor] = None T3_ket: Optional[Tensor] = None T3_bra: Optional[Tensor] = None T4_ket: Optional[Tensor] = None T4_bra: Optional[Tensor] = None interlayer_chi: Optional[int] = None def __post_init__(self) -> None: if any( e is None for e in ( self.T1_ket, self.T1_bra, self.T2_ket, self.T2_bra, self.T3_ket, self.T3_bra, self.T4_ket, self.T4_bra, ) ): self._split_up_T1(self.T1) self._split_up_T2(self.T2) self._split_up_T3(self.T3) self._split_up_T4(self.T4) self.T1 = None self.T2 = None self.T3 = None self.T4 = None if self.interlayer_chi is None: self.interlayer_chi = self.chi if not self.sanity_checks: return if not len(self.D) == 4: raise ValueError( "The bond dimension of the PEPS tensor has to be a tuple of four entries." ) if ( self.tensor.shape[0] != self.D[0] or self.tensor.shape[1] != self.D[1] or self.tensor.shape[3] != self.D[2] or self.tensor.shape[4] != self.D[3] ): raise ValueError("Bond dimension sequence mismatches tensor.") # if not ( # self.T1.shape[1] == self.T1.shape[2] == self.D[3] # and self.T2.shape[0] == self.T2.shape[1] == self.D[2] # and self.T3.shape[2] == self.T3.shape[3] == self.D[1] # and self.T4.shape[1] == self.T4.shape[2] == self.D[0] # ): # raise ValueError( # "At least one transfer tensors mismatch bond dimensions of PEPS tensor." # ) @classmethod def from_tensor( cls: Type[T_PEPS_Tensor], tensor: Tensor, d: int, D: Union[int, Sequence[int]], chi: int, interlayer_chi: Optional[int] = None, max_chi: Optional[int] = None, *, ctm_tensors_are_identities: bool = True, normalize: bool = True, seed: Optional[int] = None, backend: str = "jax", ) -> T_PEPS_Tensor: """ Initialize a PEPS tensor object with a given tensor and new CTM tensors. Args: tensor (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): PEPS tensor to initialize the object with d (:obj:`int`): Physical dimension D (:obj:`int` or :term:`sequence` of :obj:`int`): Bond dimensions for the PEPS tensor chi (:obj:`int`): Bond dimension for the environment tensors interlayer_chi (:obj:`int`): Bond dimension for the interlayer bonds of the environment tensors max_chi (:obj:`int`): Maximal allowed bond dimension for the environment tensors Keyword args: ctm_tensors_are_identities (:obj:`bool`, optional): Flag if the CTM tensors are initialized as identities. Otherwise, they are initialized randomly. Defaults to True. normalize (:obj:`bool`, optional): Flag if the generated tensors are normalized. Defaults to True. seed (:obj:`int`, optional): Seed for the random number generator. backend (:obj:`str`, optional): Backend for the generated tensors (may be ``jax`` or ``numpy``). Defaults to ``jax``. Returns: PEPS_Tensor: Instance of PEPS_Tensor with the randomly initialized tensors. """ if not is_tensor(tensor): raise ValueError("Invalid argument for tensor.") if isinstance(D, int): D = (D,) * 4 elif isinstance(D, collections.abc.Sequence) and not isinstance(D, tuple): D = tuple(D) if not all(isinstance(i, int) for i in D) or not len(D) == 4: raise ValueError("Invalid argument for D.") if ( tensor.shape[0] != D[0] or tensor.shape[1] != D[1] or tensor.shape[3] != D[2] or tensor.shape[4] != D[3] or tensor.shape[2] != d ): raise ValueError("Tensor dimensions mismatch the dimension arguments.") if interlayer_chi is None: interlayer_chi = chi if max_chi is None: max_chi = chi dtype = tensor.dtype if ctm_tensors_are_identities: C1 = jnp.ones((1, 1), dtype=dtype) C2 = jnp.ones((1, 1), dtype=dtype) C3 = jnp.ones((1, 1), dtype=dtype) C4 = jnp.ones((1, 1), dtype=dtype) T1 = jnp.eye(D[3], dtype=dtype).reshape(1, D[3], D[3], 1) T2 = jnp.eye(D[2], dtype=dtype).reshape(D[2], D[2], 1, 1) T3 = jnp.eye(D[1], dtype=dtype).reshape(1, 1, D[1], D[1]) T4 = jnp.eye(D[0], dtype=dtype).reshape(1, D[0], D[0], 1) return cls( tensor=tensor, C1=C1, C2=C2, C3=C3, C4=C4, T1=T1, T2=T2, T3=T3, T4=T4, d=d, D=D, # type: ignore chi=chi, interlayer_chi=interlayer_chi, max_chi=max_chi, ) else: rng = PEPS_Random_Number_Generator.get_generator(seed, backend=backend) C1 = rng.block((chi, chi), dtype, normalize=normalize) C2 = rng.block((chi, chi), dtype, normalize=normalize) C3 = rng.block((chi, chi), dtype, normalize=normalize) C4 = rng.block((chi, chi), dtype, normalize=normalize) T1_ket = rng.block((chi, D[3], interlayer_chi), dtype, normalize=normalize) T1_bra = rng.block((interlayer_chi, D[3], chi), dtype, normalize=normalize) T2_ket = rng.block((interlayer_chi, D[2], chi), dtype, normalize=normalize) T2_bra = rng.block((chi, D[2], interlayer_chi), dtype, normalize=normalize) T3_ket = rng.block((chi, D[1], interlayer_chi), dtype, normalize=normalize) T3_bra = rng.block((interlayer_chi, D[1], chi), dtype, normalize=normalize) T4_ket = rng.block((interlayer_chi, D[0], chi), dtype, normalize=normalize) T4_bra = rng.block((chi, D[0], interlayer_chi), dtype, normalize=normalize) return cls( tensor=tensor, C1=C1, C2=C2, C3=C3, C4=C4, T1_ket=T1_ket, T1_bra=T1_bra, T2_ket=T2_ket, T2_bra=T2_bra, T3_ket=T3_ket, T3_bra=T3_bra, T4_ket=T4_ket, T4_bra=T4_bra, d=d, D=D, # type: ignore chi=chi, interlayer_chi=interlayer_chi, max_chi=max_chi, ) @property def left_upper_transfer_shape(self) -> Tensor: return self.T4_ket.shape[2] @property def left_lower_transfer_shape(self) -> Tensor: return self.T4_bra.shape[0] @property def right_upper_transfer_shape(self) -> Tensor: return self.T2_ket.shape[2] @property def right_lower_transfer_shape(self) -> Tensor: return self.T2_bra.shape[0] @property def top_left_transfer_shape(self) -> Tensor: return self.T1_ket.shape[0] @property def top_right_transfer_shape(self) -> Tensor: return self.T1_bra.shape[2] @property def bottom_left_transfer_shape(self) -> Tensor: return self.T3_ket.shape[0] @property def bottom_right_transfer_shape(self) -> Tensor: return self.T3_bra.shape[2] def _split_up_T1(self, T1): tmp_T1 = T1.reshape(T1.shape[0] * T1.shape[1], T1.shape[2] * T1.shape[3]) self.T1_ket, T1_S, self.T1_bra = gauge_fixed_svd(tmp_T1) self.T1_ket = self.T1_ket[:, : self.interlayer_chi] T1_S = jnp.sqrt(T1_S[: self.interlayer_chi]) self.T1_bra = self.T1_bra[: self.interlayer_chi, :] self.T1_ket = self.T1_ket * T1_S[jnp.newaxis, :] self.T1_bra = T1_S[:, jnp.newaxis] * self.T1_bra self.T1_ket = self.T1_ket.reshape( T1.shape[0], T1.shape[1], self.T1_ket.shape[1] ) self.T1_bra = self.T1_bra.reshape( self.T1_bra.shape[0], T1.shape[2], T1.shape[3] ) def _split_up_T2(self, T2): tmp_T2 = T2.transpose(2, 1, 0, 3) tmp_T2 = tmp_T2.reshape( tmp_T2.shape[0] * tmp_T2.shape[1], tmp_T2.shape[2] * tmp_T2.shape[3] ) self.T2_bra, T2_S, self.T2_ket = gauge_fixed_svd(tmp_T2) self.T2_bra = self.T2_bra[:, : self.interlayer_chi] T2_S = jnp.sqrt(T2_S[: self.interlayer_chi]) self.T2_ket = self.T2_ket[: self.interlayer_chi, :] self.T2_bra = self.T2_bra * T2_S[jnp.newaxis, :] self.T2_ket = T2_S[:, jnp.newaxis] * self.T2_ket self.T2_bra = self.T2_bra.reshape( T2.shape[2], T2.shape[1], self.T2_bra.shape[1] ) self.T2_ket = self.T2_ket.reshape( self.T2_ket.shape[0], T2.shape[0], T2.shape[3] ) def _split_up_T3(self, T3): tmp_T3 = T3.transpose(0, 3, 2, 1) tmp_T3 = tmp_T3.reshape( tmp_T3.shape[0] * tmp_T3.shape[1], tmp_T3.shape[2] * tmp_T3.shape[3] ) self.T3_ket, T3_S, self.T3_bra = gauge_fixed_svd(tmp_T3) self.T3_ket = self.T3_ket[:, : self.interlayer_chi] T3_S = jnp.sqrt(T3_S[: self.interlayer_chi]) self.T3_bra = self.T3_bra[: self.interlayer_chi, :] self.T3_ket = self.T3_ket * T3_S[jnp.newaxis, :] self.T3_bra = T3_S[:, jnp.newaxis] * self.T3_bra self.T3_ket = self.T3_ket.reshape( T3.shape[0], T3.shape[3], self.T3_ket.shape[1] ) self.T3_bra = self.T3_bra.reshape( self.T3_bra.shape[0], T3.shape[2], T3.shape[1] ) def _split_up_T4(self, T4): tmp_T4 = T4.reshape(T4.shape[0] * T4.shape[1], T4.shape[2] * T4.shape[3]) self.T4_bra, T4_S, self.T4_ket = gauge_fixed_svd(tmp_T4) self.T4_bra = self.T4_bra[:, : self.interlayer_chi] T4_S = jnp.sqrt(T4_S[: self.interlayer_chi]) self.T4_ket = self.T4_ket[: self.interlayer_chi, :] self.T4_bra = self.T4_bra * T4_S[jnp.newaxis, :] self.T4_ket = T4_S[:, jnp.newaxis] * self.T4_ket self.T4_bra = self.T4_bra.reshape( T4.shape[0], T4.shape[1], self.T4_bra.shape[1] ) self.T4_ket = self.T4_ket.reshape( self.T4_ket.shape[0], T4.shape[2], T4.shape[3] ) def replace_tensor( self: T_PEPS_Tensor_Split_Transfer, new_tensor: Tensor, *, reinitialize_env_as_identities: bool = True, ) -> T_PEPS_Tensor_Split_Transfer: """ Replace the PEPS tensor and returns new object of the class. Args: new_tensor (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New PEPS tensor. Keyword args: reinitialize_env_as_identities (:obj:`bool`): Reinitialize the CTM tensors as identities. Returns: :obj:`~peps_ad.peps.PEPS_Tensor_Split_Transfer`: New instance of the class with the tensor replaced. """ if reinitialize_env_as_identities: return type(self)( tensor=new_tensor, C1=jnp.ones((1, 1), dtype=self.C1.dtype), C2=jnp.ones((1, 1), dtype=self.C2.dtype), C3=jnp.ones((1, 1), dtype=self.C3.dtype), C4=jnp.ones((1, 1), dtype=self.C4.dtype), T1=jnp.eye(self.D[3], dtype=self.T1_ket.dtype).reshape( 1, self.D[3], self.D[3], 1 ), T2=jnp.eye(self.D[2], dtype=self.T2_ket.dtype).reshape( self.D[2], self.D[2], 1, 1 ), T3=jnp.eye(self.D[1], dtype=self.T3_ket.dtype).reshape( 1, 1, self.D[1], self.D[1] ), T4=jnp.eye(self.D[0], dtype=self.T4_ket.dtype).reshape( 1, self.D[0], self.D[0], 1 ), d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, interlayer_chi=self.interlayer_chi, ) else: return type(self)( tensor=new_tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, T1_ket=self.T1_ket, T1_bra=self.T1_bra, T2_ket=self.T2_ket, T2_bra=self.T2_bra, T3_ket=self.T3_ket, T3_bra=self.T3_bra, T4_ket=self.T4_ket, T4_bra=self.T4_bra, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, interlayer_chi=self.interlayer_chi, ) def change_chi( self: T_PEPS_Tensor_Split_Transfer, new_chi: int, *, reinitialize_env_as_identities: bool = True, reset_max_chi: bool = False, reset_interlayer_chi: bool = True, ) -> T_PEPS_Tensor_Split_Transfer: """ Change the environment bond dimension and returns new object of the class. Args: new_chi (:obj:`int`): New value for environment bond dimension. Keyword args: reinitialize_env_as_identities (:obj:`bool`): Reinitialize the CTM tensors as identities if decreasing the dimension. reset_max_chi (:obj:`bool`): Set maximal bond dimension to the same new value. reset_interlayer_chi (:obj:`bool`): Set interlayer bond dimension to the same new value. Returns: :obj:`~peps_ad.peps.PEPS_Tensor_Split_Transfer`: New instance of the class with the increased value. """ new_max_chi = new_chi if reset_max_chi else self.max_chi if new_chi > new_max_chi: raise ValueError( "Increase above the max value for environment bond dimension." ) new_interlayer_chi = new_chi if reset_interlayer_chi else self.interlayer_chi if new_chi < self.chi and reinitialize_env_as_identities: return type(self)( tensor=self.tensor, C1=jnp.ones((1, 1), dtype=self.C1.dtype), C2=jnp.ones((1, 1), dtype=self.C2.dtype), C3=jnp.ones((1, 1), dtype=self.C3.dtype), C4=jnp.ones((1, 1), dtype=self.C4.dtype), T1=jnp.eye(self.D[3], dtype=self.T1_ket.dtype).reshape( 1, self.D[3], self.D[3], 1 ), T2=jnp.eye(self.D[2], dtype=self.T2_ket.dtype).reshape( self.D[2], self.D[2], 1, 1 ), T3=jnp.eye(self.D[1], dtype=self.T3_ket.dtype).reshape( 1, 1, self.D[1], self.D[1] ), T4=jnp.eye(self.D[0], dtype=self.T4_ket.dtype).reshape( 1, self.D[0], self.D[0], 1 ), d=self.d, D=self.D, chi=new_chi, max_chi=new_max_chi, interlayer_chi=new_interlayer_chi, tensor_conj=self.tensor_conj, ) else: return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, T1_ket=self.T1_ket, T1_bra=self.T1_bra, T2_ket=self.T2_ket, T2_bra=self.T2_bra, T3_ket=self.T3_ket, T3_bra=self.T3_bra, T4_ket=self.T4_ket, T4_bra=self.T4_bra, d=self.d, D=self.D, chi=new_chi, max_chi=new_max_chi, interlayer_chi=new_interlayer_chi, tensor_conj=self.tensor_conj, ) def increase_max_chi( self: T_PEPS_Tensor_Split_Transfer, new_max_chi: int, ) -> T_PEPS_Tensor_Split_Transfer: """ Change the maximal environment bond dimension and returns new object of the class. Args: new_max_chi (:obj:`int`): New value for maximal environment bond dimension. Returns: :obj:`~peps_ad.peps.PEPS_Tensor_Split_Transfer`: New instance of the class with the increased value. """ if new_max_chi < self.max_chi: raise ValueError( "Decrease below the old max value for environment bond dimension." ) return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, T1_ket=self.T1_ket, T1_bra=self.T1_bra, T2_ket=self.T2_ket, T2_bra=self.T2_bra, T3_ket=self.T3_ket, T3_bra=self.T3_bra, T4_ket=self.T4_ket, T4_bra=self.T4_bra, d=self.d, D=self.D, chi=self.chi, max_chi=new_max_chi, interlayer_chi=self.interlayer_chi, tensor_conj=self.tensor_conj, ) def replace_left_env_tensors( self: T_PEPS_Tensor_Split_Transfer, new_C1: Tensor, new_T4_ket: Tensor, new_T4_bra: Tensor, new_C4: Tensor, ) -> T_PEPS_Tensor_Split_Transfer: """ Replace the left CTMRG tensors and returns new object of the class. Args: new_C1 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C1 tensor. new_T4_ket (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New ket T4 tensor. new_T4_bra (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New bra T4 tensor. new_C4 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C4 tensor. Returns: :obj:`~peps_ad.peps.PEPS_Tensor_Split_Transfer`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=new_C1, C2=self.C2, C3=self.C3, C4=new_C4, T1_ket=self.T1_ket, T1_bra=self.T1_bra, T2_ket=self.T2_ket, T2_bra=self.T2_bra, T3_ket=self.T3_ket, T3_bra=self.T3_bra, T4_ket=new_T4_ket, T4_bra=new_T4_bra, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, interlayer_chi=self.interlayer_chi, tensor_conj=self.tensor_conj, ) def replace_right_env_tensors( self: T_PEPS_Tensor_Split_Transfer, new_C2: Tensor, new_T2_ket: Tensor, new_T2_bra: Tensor, new_C3: Tensor, ) -> T_PEPS_Tensor_Split_Transfer: """ Replace the right CTMRG tensors and returns new object of the class. Args: new_C2 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C2 tensor. new_T2_ket (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New ket T2 tensor. new_T2_bra (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New bra T2 tensor. new_C3 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C3 tensor. Returns: :obj:`~peps_ad.peps.PEPS_Tensor_Split_Transfer`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=self.C1, C2=new_C2, C3=new_C3, C4=self.C4, T1_ket=self.T1_ket, T1_bra=self.T1_bra, T2_ket=new_T2_ket, T2_bra=new_T2_bra, T3_ket=self.T3_ket, T3_bra=self.T3_bra, T4_ket=self.T4_ket, T4_bra=self.T4_bra, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, interlayer_chi=self.interlayer_chi, tensor_conj=self.tensor_conj, ) def replace_top_env_tensors( self: T_PEPS_Tensor_Split_Transfer, new_C1: Tensor, new_T1_ket: Tensor, new_T1_bra: Tensor, new_C2: Tensor, ) -> T_PEPS_Tensor_Split_Transfer: """ Replace the top CTMRG tensors and returns new object of the class. Args: new_C1 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C1 tensor. new_T1_ket (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New ket T1 tensor. new_T1_bra (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New bra T1 tensor. new_C2 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C2 tensor. Returns: :obj:`~peps_ad.peps.PEPS_Tensor_Split_Transfer`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=new_C1, C2=new_C2, C3=self.C3, C4=self.C4, T1_ket=new_T1_ket, T1_bra=new_T1_bra, T2_ket=self.T2_ket, T2_bra=self.T2_bra, T3_ket=self.T3_ket, T3_bra=self.T3_bra, T4_ket=self.T4_ket, T4_bra=self.T4_bra, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, interlayer_chi=self.interlayer_chi, tensor_conj=self.tensor_conj, ) def replace_bottom_env_tensors( self: T_PEPS_Tensor_Split_Transfer, new_C4: Tensor, new_T3_ket: Tensor, new_T3_bra: Tensor, new_C3: Tensor, ) -> T_PEPS_Tensor_Split_Transfer: """ Replace the bottom CTMRG tensors and returns new object of the class. Args: new_C4 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C4 tensor. new_T3_ket (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New ket T3 tensor. new_T3_bra (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New bra T3 tensor. new_C3 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New C3 tensor. Returns: :obj:`~peps_ad.peps.PEPS_Tensor_Split_Transfer`: New instance of the class with the tensors replaced. """ return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=new_C3, C4=new_C4, T1_ket=self.T1_ket, T1_bra=self.T1_bra, T2_ket=self.T2_ket, T2_bra=self.T2_bra, T3_ket=new_T3_ket, T3_bra=new_T3_bra, T4_ket=self.T4_ket, T4_bra=self.T4_bra, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, interlayer_chi=self.interlayer_chi, tensor_conj=self.tensor_conj, ) def __add__( self: T_PEPS_Tensor_Split_Transfer, other: T_PEPS_Tensor_Split_Transfer, *, checks: bool = True, ) -> T_PEPS_Tensor_Split_Transfer: """ Add the environment tensors of two PEPS tensors. Args: other (:obj:`~peps_ad.peps.PEPS_Tensor_Split_Transfer`): Other PEPS tensor object which should be added to this one. Keyword args: checks (:obj:`bool`): Enable checks that the addition of the two tensor objects makes sense. Maybe disabled for jax transformations. Returns: :obj:`~peps_ad.peps.PEPS_Tensor_Split_Transfer`: New instance with the added env tensors. """ if checks and ( self.tensor is not other.tensor or self.d != other.d or self.D != other.D or self.chi != other.chi ): raise ValueError( "Both PEPS tensors must have the same tensor, d, D and chi values." ) return type(self)( tensor=self.tensor, C1=self.C1 + other.C1, C2=self.C2 + other.C2, C3=self.C3 + other.C3, C4=self.C4 + other.C4, T1_ket=self.T1_ket + other.T1_ket, T1_bra=self.T1_bra + other.T1_bra, T2_ket=self.T2_ket + other.T2_ket, T2_bra=self.T2_bra + other.T2_bra, T3_ket=self.T3_ket + other.T3_ket, T3_bra=self.T3_bra + other.T3_bra, T4_ket=self.T4_ket + other.T4_ket, T4_bra=self.T4_bra + other.T4_bra, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, interlayer_chi=self.interlayer_chi, tensor_conj=self.tensor_conj, ) def __sub__( self: T_PEPS_Tensor_Split_Transfer, other: T_PEPS_Tensor_Split_Transfer, *, checks: bool = True, ) -> T_PEPS_Tensor_Split_Transfer: """ Subtract the environment tensors of two PEPS tensors. Args: other (:obj:`~peps_ad.peps.PEPS_Tensor_Split_Transfer`): Other PEPS tensor object which should be subtracted to this one. Keyword args: checks (:obj:`bool`): Enable checks that the addition of the two tensor objects makes sense. Maybe disabled for jax transformations. Returns: :obj:`~peps_ad.peps.PEPS_Tensor_Split_Transfer`: New instance with the subtracted env tensors. """ if checks and ( self.tensor is not other.tensor or self.d != other.d or self.D != other.D or self.chi != other.chi ): raise ValueError( "Both PEPS tensors must have the same tensor, d, D and chi values." ) return type(self)( tensor=self.tensor, C1=self.C1 - other.C1, C2=self.C2 - other.C2, C3=self.C3 - other.C3, C4=self.C4 - other.C4, T1_ket=self.T1_ket - other.T1_ket, T1_bra=self.T1_bra - other.T1_bra, T2_ket=self.T2_ket - other.T2_ket, T2_bra=self.T2_bra - other.T2_bra, T3_ket=self.T3_ket - other.T3_ket, T3_bra=self.T3_bra - other.T3_bra, T4_ket=self.T4_ket - other.T4_ket, T4_bra=self.T4_bra - other.T4_bra, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, interlayer_chi=self.interlayer_chi, tensor_conj=self.tensor_conj, ) @classmethod def zeros_like( cls: Type[T_PEPS_Tensor_Split_Transfer], t: T_PEPS_Tensor_Split_Transfer ) -> T_PEPS_Tensor_Split_Transfer: """ Create a PEPS tensor with same shape as another one but with zeros everywhere. Args: t (:obj:`~peps_ad.peps.PEPS_Tensor_Split_Transfer`): Other PEPS tensor object whose shape should be copied. Returns: :obj:`~peps_ad.peps.PEPS_Tensor_Split_Transfer`: New instance with the zero initialized tensors. """ return cls( tensor=jnp.zeros_like(t.tensor), C1=jnp.zeros_like(t.C1), C2=jnp.zeros_like(t.C2), C3=jnp.zeros_like(t.C3), C4=jnp.zeros_like(t.C4), T1_ket=jnp.zeros_like(t.T1_ket), T1_bra=jnp.zeros_like(t.T1_bra), T2_ket=jnp.zeros_like(t.T2_ket), T2_bra=jnp.zeros_like(t.T2_bra), T3_ket=jnp.zeros_like(t.T3_ket), T3_bra=jnp.zeros_like(t.T3_bra), T4_ket=jnp.zeros_like(t.T4_ket), T4_bra=jnp.zeros_like(t.T4_bra), d=t.d, D=t.D, chi=t.chi, max_chi=t.max_chi, interlayer_chi=t.interlayer_chi, ) def save_to_group(self, grp: h5py.Group) -> None: """ Store the PEPS tensor into a HDF5 group. Args: grp (:obj:`h5py.Group`): HDF5 group object to save the data into. """ grp.attrs["d"] = self.d grp.attrs["D"] = self.D grp.attrs["chi"] = self.chi grp.attrs["max_chi"] = self.max_chi grp.attrs["interlayer_chi"] = self.interlayer_chi grp.create_dataset( "tensor", data=self.tensor, compression="gzip", compression_opts=6 ) grp.create_dataset("C1", data=self.C1, compression="gzip", compression_opts=6) grp.create_dataset("C2", data=self.C2, compression="gzip", compression_opts=6) grp.create_dataset("C3", data=self.C3, compression="gzip", compression_opts=6) grp.create_dataset("C4", data=self.C4, compression="gzip", compression_opts=6) grp.create_dataset( "T1_ket", data=self.T1_ket, compression="gzip", compression_opts=6 ) grp.create_dataset( "T1_bra", data=self.T1_bra, compression="gzip", compression_opts=6 ) grp.create_dataset( "T2_ket", data=self.T2_ket, compression="gzip", compression_opts=6 ) grp.create_dataset( "T2_bra", data=self.T2_bra, compression="gzip", compression_opts=6 ) grp.create_dataset( "T3_ket", data=self.T3_ket, compression="gzip", compression_opts=6 ) grp.create_dataset( "T3_bra", data=self.T3_bra, compression="gzip", compression_opts=6 ) grp.create_dataset( "T4_ket", data=self.T4_ket, compression="gzip", compression_opts=6 ) grp.create_dataset( "T4_bra", data=self.T4_bra, compression="gzip", compression_opts=6 ) @classmethod def load_from_group( cls: Type[T_PEPS_Tensor_Split_Transfer], grp: h5py.Group ) -> T_PEPS_Tensor_Split_Transfer: """ Load the PEPS tensor from a HDF5 group. Args: grp (:obj:`h5py.Group`): HDF5 group object to load the data from. """ d = int(grp.attrs["d"]) D = tuple(int(i) for i in grp.attrs["D"]) chi = int(grp.attrs["chi"]) max_chi = int(grp.attrs["max_chi"]) interlayer_chi = int(grp.attrs["interlayer_chi"]) tensor = jnp.asarray(grp["tensor"]) C1 = jnp.asarray(grp["C1"]) C2 = jnp.asarray(grp["C2"]) C3 = jnp.asarray(grp["C3"]) C4 = jnp.asarray(grp["C4"]) T1_ket = jnp.asarray(grp["T1_ket"]) T1_bra = jnp.asarray(grp["T1_bra"]) T2_ket = jnp.asarray(grp["T2_ket"]) T2_bra = jnp.asarray(grp["T2_bra"]) T3_ket = jnp.asarray(grp["T3_ket"]) T3_bra = jnp.asarray(grp["T3_bra"]) T4_ket = jnp.asarray(grp["T4_ket"]) T4_bra = jnp.asarray(grp["T4_bra"]) return cls( tensor=tensor, C1=C1, C2=C2, C3=C3, C4=C4, T1_ket=T1_ket, T1_bra=T1_bra, T2_ket=T2_ket, T2_bra=T2_bra, T3_ket=T3_ket, T3_bra=T3_bra, T4_ket=T4_ket, T4_bra=T4_bra, d=d, D=D, chi=chi, max_chi=max_chi, interlayer_chi=interlayer_chi, ) @property def is_split_transfer(self: T_PEPS_Tensor_Split_Transfer) -> bool: return True @property def peps_type(self) -> PEPS_Type: return PEPS_Type.SQUARE_SPLIT def convert_to_split_transfer( self: T_PEPS_Tensor_Split_Transfer, ) -> T_PEPS_Tensor_Split_Transfer: return self def convert_to_full_transfer(self: T_PEPS_Tensor_Split_Transfer) -> T_PEPS_Tensor: T1 = jnp.tensordot(self.T1_ket, self.T1_bra, ((2,), (0,))) T2 = jnp.tensordot(self.T2_bra, self.T2_ket, ((2,), (0,))) T2 = T2.transpose(2, 1, 0, 3) T3 = jnp.tensordot(self.T3_ket, self.T3_bra, ((2,), (0,))) T3 = T3.transpose(0, 3, 2, 1) T4 = jnp.tensordot(self.T4_bra, self.T4_ket, ((2,), (0,))) return PEPS_Tensor( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, T1=T1, T2=T2, T3=T3, T4=T4, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, tensor_conj=self.tensor_conj, ) def tree_flatten(self) -> Tuple[Tuple[Any, ...], Tuple[Any, ...]]: data = ( self.tensor, self.C1, self.C2, self.C3, self.C4, self.T1_ket, self.T1_bra, self.T2_ket, self.T2_bra, self.T3_ket, self.T3_bra, self.T4_ket, self.T4_bra, self.tensor_conj, ) aux_data = (self.d, self.D, self.chi, self.max_chi, self.interlayer_chi) return (data, aux_data) @classmethod def tree_unflatten( cls: Type[T_PEPS_Tensor_Split_Transfer], aux_data: Tuple[Any, ...], children: Tuple[Any, ...], ) -> T_PEPS_Tensor_Split_Transfer: ( tensor, C1, C2, C3, C4, T1_ket, T1_bra, T2_ket, T2_bra, T3_ket, T3_bra, T4_ket, T4_bra, tensor_conj, ) = children d, D, chi, max_chi, interlayer_chi = aux_data return cls( tensor=tensor, C1=C1, C2=C2, C3=C3, C4=C4, T1_ket=T1_ket, T1_bra=T1_bra, T2_ket=T2_ket, T2_bra=T2_bra, T3_ket=T3_ket, T3_bra=T3_bra, T4_ket=T4_ket, T4_bra=T4_bra, d=d, D=D, chi=chi, max_chi=max_chi, interlayer_chi=interlayer_chi, sanity_checks=False, tensor_conj=tensor_conj, ) @dataclass @register_pytree_node_class class PEPS_Tensor_Triangular: """ Class to model a single triangular PEPS tensor with the corresponding triangular CTM tensors. Args: tensor (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): PEPS tensor C1 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C1 tensor C2 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C2 tensor C3 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C3 tensor C4 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C4 tensor C5 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C5 tensor C6 (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): C6 tensor T1a (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T1a tensor T1b (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T1b tensor T2a (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T2a tensor T2b (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T2b tensor T3a (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T3a tensor T3b (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T3b tensor T4a (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T4a tensor T4b (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T4b tensor T5a (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T5a tensor T5b (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T5b tensor T6a (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T6a tensor T6b (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): T6b tensor d (:obj:`int`): Physical dimension of the PEPS tensor D (:term:`sequence` of :obj:`int`): Sequence of the bond dimensions of the PEPS tensor chi (:obj:`int`): Bond dimension for the CTM tensors max_chi (:obj:`int`): Maximal allowed bond dimension of environment tensors. """ tensor: Tensor C1: Tensor C2: Tensor C3: Tensor C4: Tensor C5: Tensor C6: Tensor T1a: Tensor T1b: Tensor T2a: Tensor T2b: Tensor T3a: Tensor T3b: Tensor T4a: Tensor T4b: Tensor T5a: Tensor T5b: Tensor T6a: Tensor T6b: Tensor d: int D: Tuple[int, int, int, int] chi: int max_chi: int sanity_checks: bool = True def __post_init__(self) -> None: if not self.sanity_checks: return # # Copied from https://stackoverflow.com/questions/50563546/validating-detailed-types-in-python-dataclasses # for field_name, field_def in self.__dataclass_fields__.items(): # type: ignore # actual_value = getattr(self, field_name) # if isinstance(actual_value, jax.core.Tracer): # continue # evaled_type = eval(field_def.type) # if isinstance(evaled_type, typing._SpecialForm): # # No check for typing.Any, typing.Union, typing.ClassVar (without parameters) # continue # try: # actual_type = evaled_type.__origin__ # except AttributeError: # actual_type = evaled_type # if isinstance(actual_type, typing._SpecialForm): # # case of typing.Union[…] or typing.ClassVar[…] # actual_type = evaled_type.__args__ # if not isinstance(actual_value, actual_type): # raise ValueError( # f"Invalid type for field '{field_name}'. Expected '{field_def.type}', got '{type(field_name)}.'" # ) if not len(self.D) == 6: raise ValueError( "The bond dimension of the PEPS tensor has to be a tuple of four entries." ) if ( self.tensor.shape[0] != self.D[0] or self.tensor.shape[1] != self.D[1] or self.tensor.shape[2] != self.D[2] or self.tensor.shape[3] != self.D[3] or self.tensor.shape[4] != self.D[4] or self.tensor.shape[5] != self.D[5] ): raise ValueError("Bond dimension sequence mismatches tensor.") if not ( self.T1a.shape[1] == self.T1a.shape[2] == self.D[0] and self.T1b.shape[1] == self.T1b.shape[2] == self.D[1] and self.T2a.shape[1] == self.T2a.shape[2] == self.D[1] and self.T2b.shape[1] == self.T2b.shape[2] == self.D[2] and self.T3a.shape[1] == self.T3a.shape[2] == self.D[2] and self.T3b.shape[1] == self.T3b.shape[2] == self.D[3] and self.T4a.shape[1] == self.T4a.shape[2] == self.D[3] and self.T4b.shape[1] == self.T4b.shape[2] == self.D[4] and self.T5a.shape[1] == self.T5a.shape[2] == self.D[4] and self.T5b.shape[1] == self.T5b.shape[2] == self.D[5] and self.T6a.shape[1] == self.T6a.shape[2] == self.D[5] and self.T6b.shape[1] == self.T6b.shape[2] == self.D[0] ): raise ValueError( "At least one transfer tensors mismatch bond dimensions of PEPS tensor." ) @classmethod def from_tensor( cls, tensor: Tensor, d: int, D: Union[int, Sequence[int]], chi: int, max_chi: Optional[int] = None, *, ctm_tensors_are_identities: bool = True, normalize: bool = True, seed: Optional[int] = None, backend: str = "jax", ): """ Initialize a triangular PEPS tensor object with a given tensor and new CTM tensors. Args: tensor (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): Triangular PEPS tensor to initialize the object with d (:obj:`int`): Physical dimension D (:obj:`int` or :term:`sequence` of :obj:`int`): Bond dimensions for the PEPS tensor chi (:obj:`int`): Bond dimension for the environment tensors max_chi (:obj:`int`): Maximal allowed bond dimension for the environment tensors Keyword args: ctm_tensors_are_identities (:obj:`bool`, optional): Flag if the CTM tensors are initialized as identities. Otherwise, they are initialized randomly. Defaults to True. normalize (:obj:`bool`, optional): Flag if the generated tensors are normalized. Defaults to True. seed (:obj:`int`, optional): Seed for the random number generator. backend (:obj:`str`, optional): Backend for the generated tensors (may be ``jax`` or ``numpy``). Defaults to ``jax``. Returns: :obj:`~varipeps.peps.PEPS_Tensor_Triangular`: Instance of PEPS_Tensor_Triangular with the randomly initialized tensors. """ if not is_tensor(tensor): raise ValueError("Invalid argument for tensor.") if isinstance(D, int): D = (D,) * 6 elif isinstance(D, collections.abc.Sequence) and not isinstance(D, tuple): D = tuple(D) if not all(isinstance(i, int) for i in D) or not len(D) == 6: raise ValueError("Invalid argument for D.") if ( tensor.shape[0] != D[0] or tensor.shape[1] != D[1] or tensor.shape[2] != D[2] or tensor.shape[3] != D[3] or tensor.shape[4] != D[4] or tensor.shape[5] != D[5] or tensor.shape[6] != d ): raise ValueError("Tensor dimensions mismatch the dimension arguments.") if max_chi is None: max_chi = chi dtype = tensor.dtype if ctm_tensors_are_identities: C1 = jnp.eye(D[0], dtype=dtype).reshape(1, D[0], D[0], 1) C2 = jnp.eye(D[1], dtype=dtype).reshape(1, D[1], D[1], 1) C3 = jnp.eye(D[2], dtype=dtype).reshape(1, D[2], D[2], 1) C4 = jnp.eye(D[3], dtype=dtype).reshape(1, D[3], D[3], 1) C5 = jnp.eye(D[4], dtype=dtype).reshape(1, D[4], D[4], 1) C6 = jnp.eye(D[5], dtype=dtype).reshape(1, D[5], D[5], 1) T1a = jnp.eye(D[0], dtype=dtype).reshape(1, D[0], D[0], 1) T2a = jnp.eye(D[1], dtype=dtype).reshape(1, D[1], D[1], 1) T3a = jnp.eye(D[2], dtype=dtype).reshape(1, D[2], D[2], 1) T4a = jnp.eye(D[3], dtype=dtype).reshape(1, D[3], D[3], 1) T5a = jnp.eye(D[4], dtype=dtype).reshape(1, D[4], D[4], 1) T6a = jnp.eye(D[5], dtype=dtype).reshape(1, D[5], D[5], 1) T1b = jnp.eye(D[1], dtype=dtype).reshape(1, D[1], D[1], 1) T2b = jnp.eye(D[2], dtype=dtype).reshape(1, D[2], D[2], 1) T3b = jnp.eye(D[3], dtype=dtype).reshape(1, D[3], D[3], 1) T4b = jnp.eye(D[4], dtype=dtype).reshape(1, D[4], D[4], 1) T5b = jnp.eye(D[5], dtype=dtype).reshape(1, D[5], D[5], 1) T6b = jnp.eye(D[0], dtype=dtype).reshape(1, D[0], D[0], 1) else: raise NotImplementedError return cls( tensor=tensor, C1=C1, C2=C2, C3=C3, C4=C4, C5=C5, C6=C6, T1a=T1a, T1b=T1b, T2a=T2a, T2b=T2b, T3a=T3a, T3b=T3b, T4a=T4a, T4b=T4b, T5a=T5a, T5b=T5b, T6a=T6a, T6b=T6b, d=d, D=D, # type: ignore chi=chi, max_chi=max_chi, ) @classmethod def random( cls, d: int, D: Union[int, Sequence[int]], chi: int, dtype: Union[Type[np.number], Type[jnp.number]], max_chi: Optional[int] = None, *, ctm_tensors_are_identities: bool = True, normalize: bool = True, seed: Optional[int] = None, backend: str = "jax", semi_positive: bool = False, ): """ Randomly initialize a triangular PEPS tensor with triangular CTM tensors. Args: d (:obj:`int`): Physical dimension D (:obj:`int` or :term:`sequence` of :obj:`int`): Bond dimensions for the PEPS tensor chi (:obj:`int`): Bond dimension for the environment tensors dtype (:obj:`numpy.dtype` or :obj:`jax.numpy.dtype`): Dtype of the generated tensors max_chi (:obj:`int`): Maximal allowed bond dimension for the environment tensors Keyword args: ctm_tensors_are_identities (:obj:`bool`, optional): Flag if the CTM tensors are initialized as identities. Otherwise, they are initialized randomly. Defaults to True. normalize (:obj:`bool`, optional): Flag if the generated tensors are normalized. Defaults to True. seed (:obj:`int`, optional): Seed for the random number generator. backend (:obj:`str`, optional): Backend for the generated tensors (may be ``jax`` or ``numpy``). Defaults to ``jax``. Returns: :obj:`~varipeps.peps.PEPS_Tensor_Triangular`: Instance of PEPS_Tensor_Triangular with the randomly initialized tensors. """ if isinstance(D, int): D = (D,) * 6 elif isinstance(D, collections.abc.Sequence) and not isinstance(D, tuple): D = tuple(D) if not all(isinstance(i, int) for i in D) or not len(D) == 6: raise ValueError("Invalid argument for D.") if max_chi is None: max_chi = chi rng = PEPS_Random_Number_Generator.get_generator(seed, backend=backend) if semi_positive: tensor = rng.semi_positive_block( (D[0], D[1], D[2], D[3], D[4], D[5], d), dtype, normalize=normalize ) else: tensor = rng.block( (D[0], D[1], D[2], D[3], D[4], D[5], d), dtype, normalize=normalize ) if ctm_tensors_are_identities: C1 = jnp.eye(D[0], dtype=dtype).reshape(1, D[0], D[0], 1) C2 = jnp.eye(D[1], dtype=dtype).reshape(1, D[1], D[1], 1) C3 = jnp.eye(D[2], dtype=dtype).reshape(1, D[2], D[2], 1) C4 = jnp.eye(D[3], dtype=dtype).reshape(1, D[3], D[3], 1) C5 = jnp.eye(D[4], dtype=dtype).reshape(1, D[4], D[4], 1) C6 = jnp.eye(D[5], dtype=dtype).reshape(1, D[5], D[5], 1) T1a = jnp.eye(D[0], dtype=dtype).reshape(1, D[0], D[0], 1) T2a = jnp.eye(D[1], dtype=dtype).reshape(1, D[1], D[1], 1) T3a = jnp.eye(D[2], dtype=dtype).reshape(1, D[2], D[2], 1) T4a = jnp.eye(D[3], dtype=dtype).reshape(1, D[3], D[3], 1) T5a = jnp.eye(D[4], dtype=dtype).reshape(1, D[4], D[4], 1) T6a = jnp.eye(D[5], dtype=dtype).reshape(1, D[5], D[5], 1) T1b = jnp.eye(D[1], dtype=dtype).reshape(1, D[1], D[1], 1) T2b = jnp.eye(D[2], dtype=dtype).reshape(1, D[2], D[2], 1) T3b = jnp.eye(D[3], dtype=dtype).reshape(1, D[3], D[3], 1) T4b = jnp.eye(D[4], dtype=dtype).reshape(1, D[4], D[4], 1) T5b = jnp.eye(D[5], dtype=dtype).reshape(1, D[5], D[5], 1) T6b = jnp.eye(D[0], dtype=dtype).reshape(1, D[0], D[0], 1) else: raise NotImplementedError return cls( tensor=tensor, C1=C1, C2=C2, C3=C3, C4=C4, C5=C5, C6=C6, T1a=T1a, T1b=T1b, T2a=T2a, T2b=T2b, T3a=T3a, T3b=T3b, T4a=T4a, T4b=T4b, T5a=T5a, T5b=T5b, T6a=T6a, T6b=T6b, d=d, D=D, # type: ignore chi=chi, max_chi=max_chi, ) def replace_tensor( self, new_tensor: Tensor, *, reinitialize_env_as_identities: bool = True, new_D: Optional[Tuple[int, int, int, int]] = None, ): """ Replace the PEPS tensor and returns new object of the class. Args: new_tensor (:obj:`numpy.ndarray` or :obj:`jax.numpy.ndarray`): New PEPS tensor. Keyword args: reinitialize_env_as_identities (:obj:`bool`): Reinitialize the CTM tensors as identities. new_D (:obj:`tuple` of four :obj:`int`, optional): Tuple of new iPEPS bond dimensions if tensor has changed dimensions Returns: :obj:`~varipeps.peps.PEPS_Tensor_Triangular`: New instance of the class with the tensor replaced. """ if new_D is None: new_D = self.D elif not isinstance(new_D, tuple) and len(new_D) != 6: raise ValueError("Invalid argument for parameter new_D") if reinitialize_env_as_identities: C1 = jnp.eye(self.D[0], dtype=self.C1.dtype).reshape( 1, self.D[0], self.D[0], 1 ) C2 = jnp.eye(self.D[1], dtype=self.C2.dtype).reshape( 1, self.D[1], self.D[1], 1 ) C3 = jnp.eye(self.D[2], dtype=self.C3.dtype).reshape( 1, self.D[2], self.D[2], 1 ) C4 = jnp.eye(self.D[3], dtype=self.C4.dtype).reshape( 1, self.D[3], self.D[3], 1 ) C5 = jnp.eye(self.D[4], dtype=self.C5.dtype).reshape( 1, self.D[4], self.D[4], 1 ) C6 = jnp.eye(self.D[5], dtype=self.C6.dtype).reshape( 1, self.D[5], self.D[5], 1 ) T1a = jnp.eye(self.D[0], dtype=self.T1a.dtype).reshape( 1, self.D[0], self.D[0], 1 ) T2a = jnp.eye(self.D[1], dtype=self.T2a.dtype).reshape( 1, self.D[1], self.D[1], 1 ) T3a = jnp.eye(self.D[2], dtype=self.T3a.dtype).reshape( 1, self.D[2], self.D[2], 1 ) T4a = jnp.eye(self.D[3], dtype=self.T4a.dtype).reshape( 1, self.D[3], self.D[3], 1 ) T5a = jnp.eye(self.D[4], dtype=self.T5a.dtype).reshape( 1, self.D[4], self.D[4], 1 ) T6a = jnp.eye(self.D[5], dtype=self.T6a.dtype).reshape( 1, self.D[5], self.D[5], 1 ) T1b = jnp.eye(self.D[1], dtype=self.T1b.dtype).reshape( 1, self.D[1], self.D[1], 1 ) T2b = jnp.eye(self.D[2], dtype=self.T2b.dtype).reshape( 1, self.D[2], self.D[2], 1 ) T3b = jnp.eye(self.D[3], dtype=self.T3b.dtype).reshape( 1, self.D[3], self.D[3], 1 ) T4b = jnp.eye(self.D[4], dtype=self.T4b.dtype).reshape( 1, self.D[4], self.D[4], 1 ) T5b = jnp.eye(self.D[5], dtype=self.T5b.dtype).reshape( 1, self.D[5], self.D[5], 1 ) T6b = jnp.eye(self.D[0], dtype=self.T6b.dtype).reshape( 1, self.D[0], self.D[0], 1 ) return type(self)( tensor=new_tensor, C1=C1, C2=C2, C3=C3, C4=C4, C5=C5, C6=C6, T1a=T1a, T1b=T1b, T2a=T2a, T2b=T2b, T3a=T3a, T3b=T3b, T4a=T4a, T4b=T4b, T5a=T5a, T5b=T5b, T6a=T6a, T6b=T6b, d=self.d, D=new_D, chi=self.chi, max_chi=self.max_chi, ) else: return type(self)( tensor=new_tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, C5=self.C5, C6=self.C6, T1a=self.T1a, T1b=self.T1b, T2a=self.T2a, T2b=self.T2b, T3a=self.T3a, T3b=self.T3b, T4a=self.T4a, T4b=self.T4b, T5a=self.T5a, T5b=self.T5b, T6a=self.T6a, T6b=self.T6b, d=self.d, D=new_D, chi=self.chi, max_chi=self.max_chi, ) def change_chi( self: T_PEPS_Tensor, new_chi: int, *, reinitialize_env_as_identities: bool = True, reset_max_chi: bool = False, ): """ Change the environment bond dimension and returns new object of the class. Args: new_chi (:obj:`int`): New value for environment bond dimension. Keyword args: reinitialize_env_as_identities (:obj:`bool`): Reinitialize the CTM tensors as identities if decreasing the dimension. reset_max_chi (:obj:`bool`): Set maximal bond dimension to the same new value. Returns: :obj:`~varipeps.peps.PEPS_Tensor_Triangular`: New instance of the class with the increased value. """ new_max_chi = new_chi if reset_max_chi else self.max_chi if new_chi > new_max_chi: raise ValueError( "Increase above the max value for environment bond dimension." ) if new_chi < self.chi and reinitialize_env_as_identities: C1 = jnp.eye(self.D[0], dtype=self.C1.dtype).reshape( 1, self.D[0], self.D[0], 1 ) C2 = jnp.eye(self.D[1], dtype=self.C2.dtype).reshape( 1, self.D[1], self.D[1], 1 ) C3 = jnp.eye(self.D[2], dtype=self.C3.dtype).reshape( 1, self.D[2], self.D[2], 1 ) C4 = jnp.eye(self.D[3], dtype=self.C4.dtype).reshape( 1, self.D[3], self.D[3], 1 ) C5 = jnp.eye(self.D[4], dtype=self.C5.dtype).reshape( 1, self.D[4], self.D[4], 1 ) C6 = jnp.eye(self.D[5], dtype=self.C6.dtype).reshape( 1, self.D[5], self.D[5], 1 ) T1a = jnp.eye(self.D[0], dtype=self.T1a.dtype).reshape( 1, self.D[0], self.D[0], 1 ) T2a = jnp.eye(self.D[1], dtype=self.T2a.dtype).reshape( 1, self.D[1], self.D[1], 1 ) T3a = jnp.eye(self.D[2], dtype=self.T3a.dtype).reshape( 1, self.D[2], self.D[2], 1 ) T4a = jnp.eye(self.D[3], dtype=self.T4a.dtype).reshape( 1, self.D[3], self.D[3], 1 ) T5a = jnp.eye(self.D[4], dtype=self.T5a.dtype).reshape( 1, self.D[4], self.D[4], 1 ) T6a = jnp.eye(self.D[5], dtype=self.T6a.dtype).reshape( 1, self.D[5], self.D[5], 1 ) T1b = jnp.eye(self.D[1], dtype=self.T1b.dtype).reshape( 1, self.D[1], self.D[1], 1 ) T2b = jnp.eye(self.D[2], dtype=self.T2b.dtype).reshape( 1, self.D[2], self.D[2], 1 ) T3b = jnp.eye(self.D[3], dtype=self.T3b.dtype).reshape( 1, self.D[3], self.D[3], 1 ) T4b = jnp.eye(self.D[4], dtype=self.T4b.dtype).reshape( 1, self.D[4], self.D[4], 1 ) T5b = jnp.eye(self.D[5], dtype=self.T5b.dtype).reshape( 1, self.D[5], self.D[5], 1 ) T6b = jnp.eye(self.D[0], dtype=self.T6b.dtype).reshape( 1, self.D[0], self.D[0], 1 ) return type(self)( tensor=self.tensor, C1=C1, C2=C2, C3=C3, C4=C4, C5=C5, C6=C6, T1a=T1a, T1b=T1b, T2a=T2a, T2b=T2b, T3a=T3a, T3b=T3b, T4a=T4a, T4b=T4b, T5a=T5a, T5b=T5b, T6a=T6a, T6b=T6b, d=self.d, D=self.D, chi=new_chi, max_chi=new_max_chi, ) else: return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, C5=self.C5, C6=self.C6, T1a=self.T1a, T1b=self.T1b, T2a=self.T2a, T2b=self.T2b, T3a=self.T3a, T3b=self.T3b, T4a=self.T4a, T4b=self.T4b, T5a=self.T5a, T5b=self.T5b, T6a=self.T6a, T6b=self.T6b, d=self.d, D=self.D, chi=new_chi, max_chi=new_max_chi, ) def increase_max_chi( self: T_PEPS_Tensor, new_max_chi: int, ): """ Change the maximal environment bond dimension and returns new object of the class. Args: new_max_chi (:obj:`int`): New value for maximal environment bond dimension. Returns: :obj:`~varipeps.peps.PEPS_Tensor_Triangular`: New instance of the class with the increased value. """ if new_max_chi < self.max_chi: raise ValueError( "Decrease below the old max value for environment bond dimension." ) return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, C5=self.C5, C6=self.C6, T1a=self.T1a, T1b=self.T1b, T2a=self.T2a, T2b=self.T2b, T3a=self.T3a, T3b=self.T3b, T4a=self.T4a, T4b=self.T4b, T5a=self.T5a, T5b=self.T5b, T6a=self.T6a, T6b=self.T6b, d=self.d, D=self.D, chi=self.chi, max_chi=new_max_chi, ) def __add__(self, other, *, checks: bool = True): """ Add the environment tensors of two PEPS tensors. Args: other (:obj:`~varipeps.peps.PEPS_Tensor_Triangular`): Other PEPS tensor object which should be added to this one. Keyword args: checks (:obj:`bool`): Enable checks that the addition of the two tensor objects makes sense. Maybe disabled for jax transformations. Returns: :obj:`~varipeps.peps.PEPS_Tensor_Triangular`: New instance with the added env tensors. """ if checks and ( self.tensor is not other.tensor or self.d != other.d or self.D != other.D or self.chi != other.chi ): raise ValueError( "Both PEPS tensors must have the same tensor, d, D and chi values." ) return type(self)( tensor=self.tensor, C1=self.C1 + other.C1, C2=self.C2 + other.C2, C3=self.C3 + other.C3, C4=self.C4 + other.C4, C5=self.C5 + other.C5, C6=self.C6 + other.C6, T1a=self.T1a + other.T1a, T1b=self.T1b + other.T1b, T2a=self.T2a + other.T2a, T2b=self.T2b + other.T2b, T3a=self.T3a + other.T3a, T3b=self.T3b + other.T3b, T4a=self.T4a + other.T4a, T4b=self.T4b + other.T4b, T5a=self.T5a + other.T5a, T5b=self.T5b + other.T5b, T6a=self.T6a + other.T6a, T6b=self.T6b + other.T6b, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, ) def __sub__(self, other, *, checks: bool = True): """ Subtract the environment tensors of two PEPS tensors. Args: other (:obj:`~varipeps.peps.PEPS_Tensor_Triangular`): Other PEPS tensor object which should be subtracted to this one. Keyword args: checks (:obj:`bool`): Enable checks that the addition of the two tensor objects makes sense. Maybe disabled for jax transformations. Returns: :obj:`~varipeps.peps.PEPS_Tensor_Triangular`: New instance with the subtracted env tensors. """ if checks and ( self.tensor is not other.tensor or self.d != other.d or self.D != other.D or self.chi != other.chi ): raise ValueError( "Both PEPS tensors must have the same tensor, d, D and chi values." ) return type(self)( tensor=self.tensor, C1=self.C1 - other.C1, C2=self.C2 - other.C2, C3=self.C3 - other.C3, C4=self.C4 - other.C4, C5=self.C5 - other.C5, C6=self.C6 - other.C6, T1a=self.T1a - other.T1a, T1b=self.T1b - other.T1b, T2a=self.T2a - other.T2a, T2b=self.T2b - other.T2b, T3a=self.T3a - other.T3a, T3b=self.T3b - other.T3b, T4a=self.T4a - other.T4a, T4b=self.T4b - other.T4b, T5a=self.T5a - other.T5a, T5b=self.T5b - other.T5b, T6a=self.T6a - other.T6a, T6b=self.T6b - other.T6b, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, ) @classmethod def zeros_like(cls, t): """ Create a PEPS tensor with same shape as another one but with zeros everywhere. Args: t (:obj:`~varipeps.peps.PEPS_Tensor_Triangular`): Other PEPS tensor object whose shape should be copied. Returns: :obj:`~varipeps.peps.PEPS_Tensor_Triangular`: New instance with the zero initialized tensors. """ return cls( tensor=jnp.zeros_like(t.tensor), C1=jnp.zeros_like(t.C1), C2=jnp.zeros_like(t.C2), C3=jnp.zeros_like(t.C3), C4=jnp.zeros_like(t.C4), C5=jnp.zeros_like(t.C5), C6=jnp.zeros_like(t.C6), T1a=jnp.zeros_like(t.T1a), T1b=jnp.zeros_like(t.T1b), T2a=jnp.zeros_like(t.T2a), T2b=jnp.zeros_like(t.T2b), T3a=jnp.zeros_like(t.T3a), T3b=jnp.zeros_like(t.T3b), T4a=jnp.zeros_like(t.T4a), T4b=jnp.zeros_like(t.T4b), T5a=jnp.zeros_like(t.T5a), T5b=jnp.zeros_like(t.T5b), T6a=jnp.zeros_like(t.T6a), T6b=jnp.zeros_like(t.T6b), d=t.d, D=t.D, chi=t.chi, max_chi=t.max_chi, ) def zeros_like_self(self): """ Wrapper around :obj:`~varipeps.peps.PEPS_Tensor_Triangular.zeros_like` with the self object as argument. For details see there. """ return type(self).zeros_like(self) def copy(self): return type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, C5=self.C5, C6=self.C6, T1a=self.T1a, T1b=self.T1b, T2a=self.T2a, T2b=self.T2b, T3a=self.T3a, T3b=self.T3b, T4a=self.T4a, T4b=self.T4b, T5a=self.T5a, T5b=self.T5b, T6a=self.T6a, T6b=self.T6b, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, ) def copy_including_trunc(self): new = type(self)( tensor=self.tensor, C1=self.C1, C2=self.C2, C3=self.C3, C4=self.C4, C5=self.C5, C6=self.C6, T1a=self.T1a, T1b=self.T1b, T2a=self.T2a, T2b=self.T2b, T3a=self.T3a, T3b=self.T3b, T4a=self.T4a, T4b=self.T4b, T5a=self.T5a, T5b=self.T5b, T6a=self.T6a, T6b=self.T6b, d=self.d, D=self.D, chi=self.chi, max_chi=self.max_chi, ) for e in ( "T1a_trunc", "T1b_trunc", "T2a_trunc", "T2b_trunc", "T3a_trunc", "T3b_trunc", "T4a_trunc", "T4b_trunc", "T5a_trunc", "T5b_trunc", "T6a_trunc", "T6b_trunc", ): if hasattr(self, e): setattr(new, e, getattr(self, e)) return new def save_to_group(self, grp: h5py.Group) -> None: """ Store the PEPS tensor into a HDF5 group. Args: grp (:obj:`h5py.Group`): HDF5 group object to save the data into. """ grp.attrs["d"] = self.d grp.attrs["D"] = self.D grp.attrs["chi"] = self.chi grp.attrs["max_chi"] = self.max_chi grp.attrs["is_triangular_peps"] = True grp.create_dataset( "tensor", data=self.tensor, compression="gzip", compression_opts=6 ) grp.create_dataset("C1", data=self.C1, compression="gzip", compression_opts=6) grp.create_dataset("C2", data=self.C2, compression="gzip", compression_opts=6) grp.create_dataset("C3", data=self.C3, compression="gzip", compression_opts=6) grp.create_dataset("C4", data=self.C4, compression="gzip", compression_opts=6) grp.create_dataset("C5", data=self.C5, compression="gzip", compression_opts=6) grp.create_dataset("C6", data=self.C6, compression="gzip", compression_opts=6) grp.create_dataset("T1a", data=self.T1a, compression="gzip", compression_opts=6) grp.create_dataset("T1b", data=self.T1b, compression="gzip", compression_opts=6) grp.create_dataset("T2a", data=self.T2a, compression="gzip", compression_opts=6) grp.create_dataset("T2b", data=self.T2b, compression="gzip", compression_opts=6) grp.create_dataset("T3a", data=self.T3a, compression="gzip", compression_opts=6) grp.create_dataset("T3b", data=self.T3b, compression="gzip", compression_opts=6) grp.create_dataset("T4a", data=self.T4a, compression="gzip", compression_opts=6) grp.create_dataset("T4b", data=self.T4b, compression="gzip", compression_opts=6) grp.create_dataset("T5a", data=self.T5a, compression="gzip", compression_opts=6) grp.create_dataset("T5b", data=self.T5b, compression="gzip", compression_opts=6) grp.create_dataset("T6a", data=self.T6a, compression="gzip", compression_opts=6) grp.create_dataset("T6b", data=self.T6b, compression="gzip", compression_opts=6) @classmethod def load_from_group(cls, grp: h5py.Group): """ Load the PEPS tensor from a HDF5 group. Args: grp (:obj:`h5py.Group`): HDF5 group object to load the data from. """ d = int(grp.attrs["d"]) D = tuple(int(i) for i in grp.attrs["D"]) chi = int(grp.attrs["chi"]) try: max_chi = int(grp.attrs["max_chi"]) except KeyError: max_chi = chi tensor = jnp.asarray(grp["tensor"]) C1 = jnp.asarray(grp["C1"]) C2 = jnp.asarray(grp["C2"]) C3 = jnp.asarray(grp["C3"]) C4 = jnp.asarray(grp["C4"]) C5 = jnp.asarray(grp["C5"]) C6 = jnp.asarray(grp["C6"]) T1a = jnp.asarray(grp["T1a"]) T1b = jnp.asarray(grp["T1b"]) T2a = jnp.asarray(grp["T2a"]) T2b = jnp.asarray(grp["T2b"]) T3a = jnp.asarray(grp["T3a"]) T3b = jnp.asarray(grp["T3b"]) T4a = jnp.asarray(grp["T4a"]) T4b = jnp.asarray(grp["T4b"]) T5a = jnp.asarray(grp["T5a"]) T5b = jnp.asarray(grp["T5b"]) T6a = jnp.asarray(grp["T6a"]) T6b = jnp.asarray(grp["T6b"]) return cls( tensor=tensor, C1=C1, C2=C2, C3=C3, C4=C4, C5=C5, C6=C6, T1a=T1a, T1b=T1b, T2a=T2a, T2b=T2b, T3a=T3a, T3b=T3b, T4a=T4a, T4b=T4b, T5a=T5a, T5b=T5b, T6a=T6a, T6b=T6b, d=d, D=D, chi=chi, max_chi=max_chi, ) @property def is_split_transfer(self) -> bool: return False @property def is_triangular_peps(self) -> bool: return True @property def peps_type(self) -> PEPS_Type: return PEPS_Type.TRIANGULAR def tree_flatten(self) -> Tuple[Tuple[Any, ...], Tuple[Any, ...]]: data = ( self.tensor, self.C1, self.C2, self.C3, self.C4, self.C5, self.C6, self.T1a, self.T1b, self.T2a, self.T2b, self.T3a, self.T3b, self.T4a, self.T4b, self.T5a, self.T5b, self.T6a, self.T6b, ) aux_data = (self.d, self.D, self.chi, self.max_chi) if any( hasattr(self, e) for e in ( "T1a_trunc", "T1b_trunc", "T2a_trunc", "T2b_trunc", "T3a_trunc", "T3b_trunc", "T4a_trunc", "T4b_trunc", "T5a_trunc", "T5b_trunc", "T6a_trunc", "T6b_trunc", ) ): trunc_found = [] for e in ( "T1a_trunc", "T1b_trunc", "T2a_trunc", "T2b_trunc", "T3a_trunc", "T3b_trunc", "T4a_trunc", "T4b_trunc", "T5a_trunc", "T5b_trunc", "T6a_trunc", "T6b_trunc", ): data += (getattr(self, e),) trunc_found.append(e) aux_data += (tuple(trunc_found),) return (data, aux_data) @classmethod def tree_unflatten(cls, aux_data: Tuple[Any, ...], children: Tuple[Any, ...]): ( tensor, C1, C2, C3, C4, C5, C6, T1a, T1b, T2a, T2b, T3a, T3b, T4a, T4b, T5a, T5b, T6a, T6b, ) = children[:19] d, D, chi, max_chi = aux_data[:4] new = cls( tensor=tensor, C1=C1, C2=C2, C3=C3, C4=C4, C5=C5, C6=C6, T1a=T1a, T1b=T1b, T2a=T2a, T2b=T2b, T3a=T3a, T3b=T3b, T4a=T4a, T4b=T4b, T5a=T5a, T5b=T5b, T6a=T6a, T6b=T6b, d=d, D=D, chi=chi, max_chi=max_chi, sanity_checks=False, ) if len(aux_data) == 5: trunc_found = aux_data[4] for i, e in enumerate(trunc_found): setattr(new, e, children[19 + i]) return new