import jax.numpy as jnp from jax import jit from varipeps.peps import PEPS_Tensor from varipeps.contractions import apply_contraction, Definitions from typing import Sequence, Tuple def partially_traced_vertical_two_site_density_matrices_triangular( peps_tensors: Sequence[jnp.ndarray], peps_tensor_objs: Sequence[PEPS_Tensor], real_physical_dimension: int, num_coarse_grained_physical_indices: int, open_physical_indices: Tuple[Tuple[int], Tuple[int]], ) -> Tuple[jnp.ndarray, jnp.ndarray]: if not all( all(isinstance(open_idx, int) for open_idx in tup) or len(tup) == 0 for tup in open_physical_indices ): raise TypeError( "All elements of each tuple must be integers (or the tuple may be empty)." ) if not all( len(tup) <= num_coarse_grained_physical_indices for tup in open_physical_indices ): raise ValueError( f"At least one tuple in `open_physical_indices` {open_physical_indices} has length greater" f"than the number of coarse-grained physical sites {num_coarse_grained_physical_indices}" ) peps_tensors = [ t.reshape( t.shape[0], t.shape[1], t.shape[2], t.shape[3], t.shape[4], t.shape[5], *((real_physical_dimension,) * num_coarse_grained_physical_indices), ) for t in peps_tensors ] t_top, t_bottom = peps_tensors t_obj_top, t_obj_bottom = peps_tensor_objs top_i, bottom_i = open_physical_indices if any( not hasattr( Definitions, ( f"partially_traced_vertical_two_site_density_matrices_triangular_{pos_name}_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{pos_idx}" ), ) for pos_idx, pos_name in zip( open_physical_indices, ["top", "bottom"], strict=True ) ): phys_contraction_i_top = list( range(15, 15 + num_coarse_grained_physical_indices - len(top_i)) ) phys_contraction_i_conj_top = list( range(15, 15 + num_coarse_grained_physical_indices - len(top_i)) ) for pos, i in enumerate(top_i): phys_contraction_i_top.insert(i - 1, -(pos + 1)) phys_contraction_i_conj_top.insert(i - 1, -len(top_i) - (pos + 1)) phys_contraction_i_top = tuple(phys_contraction_i_top) phys_contraction_i_conj_top = tuple(phys_contraction_i_conj_top) contraction_top = { "tensors": [["tensor", "tensor_conj", "T6a", "C1", "C2", "C3", "T3b"]], "network": [ [ (4, 5, 7, 13, -2 * len(top_i) - 2, 3) + phys_contraction_i_top, # tensor (9, 10, 11, 14, -2 * len(top_i) - 3, 8) + phys_contraction_i_conj_top, # tensor_conj (-2 * len(top_i) - 1, 3, 8, 1), # T6a (1, 4, 9, 2), # C1 (2, 5, 10, 6), # C2 (6, 7, 11, 12), # C3 (12, 13, 14, -2 * len(top_i) - 4), # T3b ], ], } Definitions.add_def( ( f"partially_traced_vertical_two_site_density_matrices_triangular_top_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{top_i}" ), contraction_top, ) phys_contraction_i_bottom = list( range(15, 15 + num_coarse_grained_physical_indices - len(bottom_i)) ) phys_contraction_i_conj_bottom = list( range(15, 15 + num_coarse_grained_physical_indices - len(bottom_i)) ) for pos, i in enumerate(bottom_i): phys_contraction_i_bottom.insert(i - 1, -4 - (pos + 1)) phys_contraction_i_conj_bottom.insert(i - 1, -4 - len(bottom_i) - (pos + 1)) phys_contraction_i_bottom = tuple(phys_contraction_i_bottom) phys_contraction_i_conj_bottom = tuple(phys_contraction_i_conj_bottom) contraction_bottom = { "tensors": [["tensor", "tensor_conj", "T3a", "C4", "C5", "C6", "T6b"]], "network": [ [ (13, -2, 3, 4, 5, 7) + phys_contraction_i_bottom, # tensor (14, -3, 8, 9, 10, 11) + phys_contraction_i_conj_bottom, # tensor_conj (-4, 3, 8, 1), # T3a (1, 4, 9, 2), # C4 (2, 5, 10, 6), # C5 (6, 7, 11, 12), # C6 (12, 13, 14, -1), # T6b ], ], } Definitions.add_def( ( f"partially_traced_vertical_two_site_density_matrices_triangular_bottom_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{bottom_i}" ), contraction_bottom, ) density_top = apply_contraction( ( f"partially_traced_vertical_two_site_density_matrices_triangular_top_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{top_i}" ), [t_top], [t_obj_top], [], disable_identity_check=True, ) if len(top_i) > 0: density_top = density_top.reshape( real_physical_dimension ** len(top_i), real_physical_dimension ** len(top_i), density_top.shape[-4], density_top.shape[-3], density_top.shape[-2], density_top.shape[-1], ) density_bottom = apply_contraction( ( f"partially_traced_vertical_two_site_density_matrices_triangular_bottom_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{bottom_i}" ), [t_bottom], [t_obj_bottom], [], disable_identity_check=True, ) if len(bottom_i) > 0: # Physical indices are at the end (ket, bra), for consistency with _two_site_workhorse density_bottom = density_bottom.reshape( density_bottom.shape[0], density_bottom.shape[1], density_bottom.shape[2], density_bottom.shape[3], real_physical_dimension ** len(bottom_i), real_physical_dimension ** len(bottom_i), ) return ( density_top, density_bottom, ) def partially_traced_horizontal_two_site_density_matrices_triangular( peps_tensors: Sequence[jnp.ndarray], peps_tensor_objs: Sequence[PEPS_Tensor], real_physical_dimension: int, num_coarse_grained_physical_indices: int, open_physical_indices: Tuple[Tuple[int], Tuple[int]], ) -> Tuple[jnp.ndarray, jnp.ndarray]: if not all( all(isinstance(open_idx, int) for open_idx in tup) or len(tup) == 0 for tup in open_physical_indices ): raise TypeError( "All elements of each tuple must be integers (or the tuple may be empty)." ) if not all( len(tup) <= num_coarse_grained_physical_indices for tup in open_physical_indices ): raise ValueError( f"At least one tuple in `open_physical_indices` {open_physical_indices} has length greater" f"than the number of coarse-grained physical sites {num_coarse_grained_physical_indices}" ) peps_tensors = [ t.reshape( t.shape[0], t.shape[1], t.shape[2], t.shape[3], t.shape[4], t.shape[5], *((real_physical_dimension,) * num_coarse_grained_physical_indices), ) for t in peps_tensors ] t_left, t_right = peps_tensors t_obj_left, t_obj_right = peps_tensor_objs left_i, right_i = open_physical_indices if any( not hasattr( Definitions, ( f"partially_traced_horizontal_two_site_density_matrices_triangular_{pos_name}_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{pos_idx}" ), ) for pos_idx, pos_name in zip( open_physical_indices, ["left", "right"], strict=True ) ): phys_contraction_i_left = list( range(15, 15 + num_coarse_grained_physical_indices - len(left_i)) ) phys_contraction_i_conj_left = list( range(15, 15 + num_coarse_grained_physical_indices - len(left_i)) ) for pos, i in enumerate(left_i): phys_contraction_i_left.insert(i - 1, -(pos + 1)) phys_contraction_i_conj_left.insert(i - 1, -len(left_i) - (pos + 1)) phys_contraction_i_left = tuple(phys_contraction_i_left) phys_contraction_i_conj_left = tuple(phys_contraction_i_conj_left) contraction_left = { "tensors": [["tensor", "tensor_conj", "T4a", "C5", "C6", "C1", "T1b"]], "network": [ [ (7, 13, -2 * len(left_i) - 2, 3, 4, 5) + phys_contraction_i_left, # tensor (11, 14, -2 * len(left_i) - 3, 8, 9, 10) + phys_contraction_i_conj_left, # tensor_conj (-2 * len(left_i) - 4, 3, 8, 1), # T4a (1, 4, 9, 2), # C5 (2, 5, 10, 6), # C6 (6, 7, 11, 12), # C1 (12, 13, 14, -2 * len(left_i) - 1), # T1b ], ], } Definitions.add_def( ( f"partially_traced_horizontal_two_site_density_matrices_triangular_left_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{left_i}" ), contraction_left, ) phys_contraction_i_right = list( range(15, 15 + num_coarse_grained_physical_indices - len(right_i)) ) phys_contraction_i_conj_right = list( range(15, 15 + num_coarse_grained_physical_indices - len(right_i)) ) for pos, i in enumerate(right_i): phys_contraction_i_right.insert(i - 1, -4 - (pos + 1)) phys_contraction_i_conj_right.insert(i - 1, -4 - len(right_i) - (pos + 1)) phys_contraction_i_right = tuple(phys_contraction_i_right) phys_contraction_i_conj_right = tuple(phys_contraction_i_conj_right) contraction_right = { "tensors": [["tensor", "tensor_conj", "T1a", "C2", "C3", "C4", "T4b"]], "network": [ [ (3, 4, 5, 7, 13, -2) + phys_contraction_i_right, # tensor (8, 9, 10, 11, 14, -3) + phys_contraction_i_conj_right, # tensor_conj (-1, 3, 8, 1), # T1a (1, 4, 9, 2), # C2 (2, 5, 10, 6), # C3 (6, 7, 11, 12), # C4 (12, 13, 14, -4), # T4b ], ], } Definitions.add_def( ( f"partially_traced_horizontal_two_site_density_matrices_triangular_right_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{right_i}" ), contraction_right, ) density_left = apply_contraction( ( f"partially_traced_horizontal_two_site_density_matrices_triangular_left_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{left_i}" ), [t_left], [t_obj_left], [], disable_identity_check=True, ) if len(left_i) > 0: density_left = density_left.reshape( real_physical_dimension ** len(left_i), real_physical_dimension ** len(left_i), density_left.shape[-4], density_left.shape[-3], density_left.shape[-2], density_left.shape[-1], ) density_right = apply_contraction( ( f"partially_traced_horizontal_two_site_density_matrices_triangular_right_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{right_i}" ), [t_right], [t_obj_right], [], disable_identity_check=True, ) if len(right_i) > 0: # Physical indices are at the end (ket, bra), for consistency with _two_site_workhorse density_right = density_right.reshape( density_right.shape[0], density_right.shape[1], density_right.shape[2], density_right.shape[3], real_physical_dimension ** len(right_i), real_physical_dimension ** len(right_i), ) return ( density_left, density_right, ) def partially_traced_diagonal_two_site_density_matrices_triangular( peps_tensors: Sequence[jnp.ndarray], peps_tensor_objs: Sequence[PEPS_Tensor], real_physical_dimension: int, num_coarse_grained_physical_indices: int, open_physical_indices: Tuple[Tuple[int], Tuple[int]], ) -> Tuple[jnp.ndarray, jnp.ndarray]: if not all( all(isinstance(open_idx, int) for open_idx in tup) or len(tup) == 0 for tup in open_physical_indices ): raise TypeError( "All elements of each tuple must be integers (or the tuple may be empty)." ) if not all( len(tup) <= num_coarse_grained_physical_indices for tup in open_physical_indices ): raise ValueError( f"At least one tuple in `open_physical_indices` {open_physical_indices} has length greater" f"than the number of coarse-grained physical sites {num_coarse_grained_physical_indices}" ) peps_tensors = [ t.reshape( t.shape[0], t.shape[1], t.shape[2], t.shape[3], t.shape[4], t.shape[5], *((real_physical_dimension,) * num_coarse_grained_physical_indices), ) for t in peps_tensors ] t_top, t_bottom = peps_tensors t_obj_top, t_obj_bottom = peps_tensor_objs top_i, bottom_i = open_physical_indices if any( not hasattr( Definitions, ( f"partially_traced_diagonal_two_site_density_matrices_triangular_{pos_name}_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{pos_idx}" ), ) for pos_idx, pos_name in zip( open_physical_indices, ["top", "bottom"], strict=True ) ): phys_contraction_i_top = list( range(15, 15 + num_coarse_grained_physical_indices - len(top_i)) ) phys_contraction_i_conj_top = list( range(15, 15 + num_coarse_grained_physical_indices - len(top_i)) ) for pos, i in enumerate(top_i): phys_contraction_i_top.insert(i - 1, -(pos + 1)) phys_contraction_i_conj_top.insert(i - 1, -len(top_i) - (pos + 1)) phys_contraction_i_top = tuple(phys_contraction_i_top) phys_contraction_i_conj_top = tuple(phys_contraction_i_conj_top) contraction_top = { "tensors": [["tensor", "tensor_conj", "T5a", "C6", "C1", "C2", "T2b"]], "network": [ [ (5, 7, 13, -2 * len(top_i) - 2, 3, 4) + phys_contraction_i_top, # tensor (10, 11, 14, -2 * len(top_i) - 3, 8, 9) + phys_contraction_i_conj_top, # tensor_conj (-2 * len(top_i) - 1, 3, 8, 1), # T5a (1, 4, 9, 2), # C6 (2, 5, 10, 6), # C1 (6, 7, 11, 12), # C2 (12, 13, 14, -2 * len(top_i) - 4), # T2b ], ], } Definitions.add_def( ( f"partially_traced_diagonal_two_site_density_matrices_triangular_top_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{top_i}" ), contraction_top, ) phys_contraction_i_bottom = list( range(15, 15 + num_coarse_grained_physical_indices - len(bottom_i)) ) phys_contraction_i_conj_bottom = list( range(15, 15 + num_coarse_grained_physical_indices - len(bottom_i)) ) for pos, i in enumerate(bottom_i): phys_contraction_i_bottom.insert(i - 1, -4 - (pos + 1)) phys_contraction_i_conj_bottom.insert(i - 1, -4 - len(bottom_i) - (pos + 1)) phys_contraction_i_bottom = tuple(phys_contraction_i_bottom) phys_contraction_i_conj_bottom = tuple(phys_contraction_i_conj_bottom) contraction_bottom = { "tensors": [["tensor", "tensor_conj", "T2a", "C3", "C4", "C5", "T5b"]], "network": [ [ (-2, 3, 4, 5, 7, 13) + phys_contraction_i_bottom, # tensor (-3, 8, 9, 10, 11, 14) + phys_contraction_i_conj_bottom, # tensor_conj (-4, 3, 8, 1), # T2a (1, 4, 9, 2), # C3 (2, 5, 10, 6), # C4 (6, 7, 11, 12), # C5 (12, 13, 14, -1), # T5b ], ], } Definitions.add_def( ( f"partially_traced_diagonal_two_site_density_matrices_triangular_bottom_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{bottom_i}" ), contraction_bottom, ) density_top = apply_contraction( ( f"partially_traced_diagonal_two_site_density_matrices_triangular_top_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{top_i}" ), [t_top], [t_obj_top], [], disable_identity_check=True, ) if len(top_i) > 0: density_top = density_top.reshape( real_physical_dimension ** len(top_i), real_physical_dimension ** len(top_i), density_top.shape[-4], density_top.shape[-3], density_top.shape[-2], density_top.shape[-1], ) density_bottom = apply_contraction( ( f"partially_traced_diagonal_two_site_density_matrices_triangular_bottom_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{bottom_i}" ), [t_bottom], [t_obj_bottom], [], disable_identity_check=True, ) if len(bottom_i) > 0: # Physical indices are at the end (ket, bra), for consistency with _two_site_workhorse density_bottom = density_bottom.reshape( density_bottom.shape[0], density_bottom.shape[1], density_bottom.shape[2], density_bottom.shape[3], real_physical_dimension ** len(bottom_i), real_physical_dimension ** len(bottom_i), ) return ( density_top, density_bottom, )