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_four_site_density_matrices( 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[int], Tuple[int]], ) -> Tuple[jnp.ndarray, jnp.ndarray, 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], *((real_physical_dimension,) * num_coarse_grained_physical_indices), t.shape[3], t.shape[4], ) for t in peps_tensors ] t_top_left, t_top_right, t_bottom_left, t_bottom_right = peps_tensors t_obj_top_left, t_obj_top_right, t_obj_bottom_left, t_obj_bottom_right = ( peps_tensor_objs ) top_left_i, top_right_i, bottom_left_i, bottom_right_i = open_physical_indices if any( not hasattr( Definitions, ( f"partially_traced_four_site_density_matrices_{pos_name}_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{pos_idx}" ), ) for pos_idx, pos_name in zip( open_physical_indices, ["top_left", "top_right", "bottom_left", "bottom_right"], strict=True, ) ): phys_contraction_i_top_left = list( range(7, 7 + num_coarse_grained_physical_indices - len(top_left_i)) ) phys_contraction_i_conj_top_left = list( range(7, 7 + num_coarse_grained_physical_indices - len(top_left_i)) ) for pos, i in enumerate(top_left_i): phys_contraction_i_top_left.insert(i - 1, -(pos + 1)) phys_contraction_i_conj_top_left.insert(i - 1, -len(top_left_i) - (pos + 1)) phys_contraction_i_top_left = tuple(phys_contraction_i_top_left) phys_contraction_i_conj_top_left = tuple(phys_contraction_i_conj_top_left) contraction_top_left = { "tensors": [["tensor", "tensor_conj", "T4", "C1", "T1"]], "network": [ [ (3, -2 * len(top_left_i) - 2) + phys_contraction_i_top_left + (-2 * len(top_left_i) - 5, 4), # tensor (5, -2 * len(top_left_i) - 3) + phys_contraction_i_conj_top_left + (-2 * len(top_left_i) - 6, 6), # tensor_conj (-2 * len(top_left_i) - 1, 5, 3, 1), # T4 (1, 2), # C1 (2, 4, 6, -2 * len(top_left_i) - 4), # T1 ] ], } Definitions.add_def( ( f"partially_traced_four_site_density_matrices_top_left_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{top_left_i}" ), contraction_top_left, ) phys_contraction_i_top_right = list( range(7, 7 + num_coarse_grained_physical_indices - len(top_right_i)) ) phys_contraction_i_conj_top_right = list( range(7, 7 + num_coarse_grained_physical_indices - len(top_right_i)) ) for pos, i in enumerate(top_right_i): phys_contraction_i_top_right.insert(i - 1, -(pos + 1)) phys_contraction_i_conj_top_right.insert( i - 1, -len(top_right_i) - (pos + 1) ) phys_contraction_i_top_right = tuple(phys_contraction_i_top_right) phys_contraction_i_conj_top_right = tuple(phys_contraction_i_conj_top_right) contraction_top_right = { "tensors": [["tensor", "tensor_conj", "T1", "C2", "T2"]], "network": [ # With rotational consistent output order (ChiE, Ket chiB, Bra chiB) [ (-2 * len(top_right_i) - 2, -2 * len(top_right_i) - 5) + phys_contraction_i_top_right + (4, 3), # tensor (-2 * len(top_right_i) - 3, -2 * len(top_right_i) - 6) + phys_contraction_i_conj_top_right + (6, 5), # tensor_conj (-2 * len(top_right_i) - 1, 3, 5, 1), # T1 (1, 2), # C2 (4, 6, -2 * len(top_right_i) - 4, 2), # T2 ] # Without rotational consistent output order # [ # (-2 * len(top_right_i) - 2, -2 * len(top_right_i) - 6) # + phys_contraction_i_top_right # + (4, 3), # tensor # (-2 * len(top_right_i) - 3, -2 * len(top_right_i) - 5) # + phys_contraction_i_conj_top_right # + (6, 5), # tensor_conj # (-2 * len(top_right_i) - 1, 3, 5, 1), # T1 # (1, 2), # C2 # (4, 6, -2 * len(top_right_i) - 4, 2), # T2 # ] ], } Definitions.add_def( ( f"partially_traced_four_site_density_matrices_top_right_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{top_right_i}" ), contraction_top_right, ) phys_contraction_i_bottom_left = list( range(7, 7 + num_coarse_grained_physical_indices - len(bottom_left_i)) ) phys_contraction_i_conj_bottom_left = list( range(7, 7 + num_coarse_grained_physical_indices - len(bottom_left_i)) ) for pos, i in enumerate(bottom_left_i): phys_contraction_i_bottom_left.insert(i - 1, -(pos + 1)) phys_contraction_i_conj_bottom_left.insert( i - 1, -len(bottom_left_i) - (pos + 1) ) phys_contraction_i_bottom_left = tuple(phys_contraction_i_bottom_left) phys_contraction_i_conj_bottom_left = tuple(phys_contraction_i_conj_bottom_left) contraction_bottom_left = { "tensors": [["tensor", "tensor_conj", "T3", "C4", "T4"]], "network": [ # With rotational consistent output order (ChiE, Ket chiB, Bra chiB) [ (3, 4) + phys_contraction_i_bottom_left + ( -2 * len(bottom_left_i) - 2, -2 * len(bottom_left_i) - 5, ), # tensor (5, 6) + phys_contraction_i_conj_bottom_left + ( -2 * len(bottom_left_i) - 3, -2 * len(bottom_left_i) - 6, ), # tensor_conj (2, -2 * len(bottom_left_i) - 1, 6, 4), # T3 (2, 1), # C4 (1, 5, 3, -2 * len(bottom_left_i) - 4), # T4 ] # Without rotational consistent output order # [ # (3, 4) # + phys_contraction_i_bottom_left # + ( # -2 * len(bottom_left_i) - 3, # -2 * len(bottom_left_i) - 5, # ), # tensor # (5, 6) # + phys_contraction_i_conj_bottom_left # + ( # -2 * len(bottom_left_i) - 2, # -2 * len(bottom_left_i) - 6, # ), # tensor_conj # (2, -2 * len(bottom_left_i) - 1, 6, 4), # T3 # (2, 1), # C4 # (1, 5, 3, -2 * len(bottom_left_i) - 4), # T4 # ] ], } Definitions.add_def( ( f"partially_traced_four_site_density_matrices_bottom_left_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{bottom_left_i}" ), contraction_bottom_left, ) phys_contraction_i_bottom_right = list( range(7, 7 + num_coarse_grained_physical_indices - len(bottom_right_i)) ) phys_contraction_i_conj_bottom_right = list( range(7, 7 + num_coarse_grained_physical_indices - len(bottom_right_i)) ) for pos, i in enumerate(bottom_right_i): phys_contraction_i_bottom_right.insert(i - 1, -(pos + 1)) phys_contraction_i_conj_bottom_right.insert( i - 1, -len(bottom_right_i) - (pos + 1) ) phys_contraction_i_bottom_right = tuple(phys_contraction_i_bottom_right) phys_contraction_i_conj_bottom_right = tuple( phys_contraction_i_conj_bottom_right ) contraction_bottom_right = { "tensors": [["tensor", "tensor_conj", "T2", "T3", "C3"]], "network": [ # With rotational consistent output order (ChiE, Ket chiB, Bra chiB) [ (-2 * len(bottom_right_i) - 5, 3) + phys_contraction_i_bottom_right + (4, -2 * len(bottom_right_i) - 2), # tensor (-2 * len(bottom_right_i) - 6, 5) + phys_contraction_i_conj_bottom_right + (6, -2 * len(bottom_right_i) - 3), # tensor_conj (4, 6, 2, -2 * len(bottom_right_i) - 1), # T2 (-2 * len(bottom_right_i) - 4, 1, 5, 3), # T3 (1, 2), # C3 ] # Without rotational consistent output order # [ # (-2 * len(bottom_right_i) - 6, 3) # + phys_contraction_i_bottom_right # + (4, -2 * len(bottom_right_i) - 3), # tensor # (-2 * len(bottom_right_i) - 5, 5) # + phys_contraction_i_conj_bottom_right # + (6, -2 * len(bottom_right_i) - 2), # tensor_conj # (4, 6, 2, -2 * len(bottom_right_i) - 1), # T2 # (-2 * len(bottom_right_i) - 4, 1, 5, 3), # T3 # (1, 2), # C3 # ] ], } Definitions.add_def( ( f"partially_traced_four_site_density_matrices_bottom_right_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{bottom_right_i}" ), contraction_bottom_right, ) density_top_left = apply_contraction( ( f"partially_traced_four_site_density_matrices_top_left_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{top_left_i}" ), [t_top_left], [t_obj_top_left], [], disable_identity_check=True, ) if len(top_left_i) > 0: density_top_left = density_top_left.reshape( real_physical_dimension ** len(top_left_i), real_physical_dimension ** len(top_left_i), density_top_left.shape[-6], density_top_left.shape[-5], density_top_left.shape[-4], density_top_left.shape[-3], density_top_left.shape[-2], density_top_left.shape[-1], ) density_top_right = apply_contraction( ( f"partially_traced_four_site_density_matrices_top_right_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{top_right_i}" ), [t_top_right], [t_obj_top_right], [], disable_identity_check=True, ) if len(top_right_i) > 0: density_top_right = density_top_right.reshape( real_physical_dimension ** len(top_right_i), real_physical_dimension ** len(top_right_i), density_top_right.shape[-6], density_top_right.shape[-5], density_top_right.shape[-4], density_top_right.shape[-3], density_top_right.shape[-2], density_top_right.shape[-1], ) density_bottom_left = apply_contraction( ( f"partially_traced_four_site_density_matrices_bottom_left_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{bottom_left_i}" ), [t_bottom_left], [t_obj_bottom_left], [], disable_identity_check=True, ) if len(bottom_left_i) > 0: density_bottom_left = density_bottom_left.reshape( real_physical_dimension ** len(bottom_left_i), real_physical_dimension ** len(bottom_left_i), density_bottom_left.shape[-6], density_bottom_left.shape[-5], density_bottom_left.shape[-4], density_bottom_left.shape[-3], density_bottom_left.shape[-2], density_bottom_left.shape[-1], ) density_bottom_right = apply_contraction( ( f"partially_traced_four_site_density_matrices_bottom_right_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{bottom_right_i}" ), [t_bottom_right], [t_obj_bottom_right], [], disable_identity_check=True, ) if len(bottom_right_i) > 0: density_bottom_right = density_bottom_right.reshape( real_physical_dimension ** len(bottom_right_i), real_physical_dimension ** len(bottom_right_i), density_bottom_right.shape[-6], density_bottom_right.shape[-5], density_bottom_right.shape[-4], density_bottom_right.shape[-3], density_bottom_right.shape[-2], density_bottom_right.shape[-1], ) return ( density_top_left, density_top_right, density_bottom_left, density_bottom_right, ) def partially_traced_horizontal_two_site_density_matrices( 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], *((real_physical_dimension,) * num_coarse_grained_physical_indices), t.shape[3], t.shape[4], ) 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_{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(11, 11 + num_coarse_grained_physical_indices - len(left_i)) ) phys_contraction_i_conj_left = list( range(11, 11 + 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", "C1", "T1", "T3", "C4", "T4"]], "network": [ [ (5, 9) + phys_contraction_i_left + (-2 * len(left_i) - 2, 4), # tensor (7, 10) + phys_contraction_i_conj_left + (-2 * len(left_i) - 3, 6), # tensor_conj (1, 3), # C1 (3, 4, 6, -2 * len(left_i) - 1), # T1 (2, -2 * len(left_i) - 4, 10, 9), # T3 (2, 8), # C4 (8, 7, 5, 1), # T4 ] ], } Definitions.add_def( ( f"partially_traced_horizontal_two_site_density_matrices_left_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{left_i}" ), contraction_left, ) phys_contraction_i_right = list( range(11, 11 + num_coarse_grained_physical_indices - len(right_i)) ) phys_contraction_i_conj_right = list( range(11, 11 + 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", "T1", "C2", "T2", "T3", "C3"]], "network": [ [ (-2, 8) + phys_contraction_i_right + (5, 4), # tensor (-3, 9) + phys_contraction_i_conj_right + (7, 6), # tensor_conj (-1, 4, 6, 3), # T1 (3, 1), # C2 (5, 7, 10, 1), # T2 (-4, 2, 9, 8), # T3 (2, 10), # C3 ] ], } Definitions.add_def( ( f"partially_traced_horizontal_two_site_density_matrices_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_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_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_vertical_two_site_density_matrices( 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], *((real_physical_dimension,) * num_coarse_grained_physical_indices), t.shape[3], t.shape[4], ) 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_{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(11, 11 + num_coarse_grained_physical_indices - len(top_i)) ) phys_contraction_i_conj_top = list( range(11, 11 + 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", "C1", "T1", "C2", "T2", "T4"]], "network": [ [ (8, -2 * len(top_i) - 2) + phys_contraction_i_top + (4, 5), # tensor (9, -2 * len(top_i) - 3) + phys_contraction_i_conj_top + (6, 7), # tensor_conj (2, 10), # C1 (10, 5, 7, 1), # T1 (1, 3), # C2 (4, 6, -2 * len(top_i) - 4, 3), # T2 (-2 * len(top_i) - 1, 9, 8, 2), # T4 ] ], } Definitions.add_def( ( f"partially_traced_vertical_two_site_density_matrices_top_" f"{real_physical_dimension}_{num_coarse_grained_physical_indices}_{top_i}" ), contraction_top, ) phys_contraction_i_bottom = list( range(11, 11 + num_coarse_grained_physical_indices - len(bottom_i)) ) phys_contraction_i_conj_bottom = list( range(11, 11 + 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", "T2", "C3", "T3", "C4", "T4"]], "network": [ [ (4, 5) + phys_contraction_i_bottom + (8, -2), # tensor (6, 7) + phys_contraction_i_conj_bottom + (9, -3), # tensor_conj (8, 9, 2, -4), # T2 (10, 2), # C3 (1, 10, 7, 5), # T3 (1, 3), # C4 (3, 6, 4, -1), # T4 ] ], } Definitions.add_def( ( f"partially_traced_vertical_two_site_density_matrices_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_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_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, )