import collections.abc from dataclasses import dataclass, field from operator import itemgetter import jax.numpy as jnp from jax import jit from jax.lax import scan, cond from varipeps.peps import PEPS_Tensor, PEPS_Unit_Cell from varipeps.contractions import apply_contraction, apply_contraction_jitted from varipeps.utils.svd import gauge_fixed_svd from varipeps.utils.periodic_indices import calculate_periodic_indices from varipeps.utils.projector_dict import Projector_Dict from .projectors import ( calc_left_projectors, calc_right_projectors, calc_top_projectors, calc_bottom_projectors, ) from varipeps.expectation.one_site import calc_one_site_single_gate_obj from varipeps.config import VariPEPS_Config from varipeps.global_state import VariPEPS_Global_State from typing import Sequence, Tuple, List, Dict, Literal CTMRG_Orientation = Literal["top-left", "top-right", "bottom-left", "bottom-right"] def _tensor_list_from_indices( peps_tensors: Sequence[jnp.ndarray], indices: Sequence[Sequence[int]] ) -> List[List[jnp.ndarray]]: return [[peps_tensors[ty] for ty in tx] for tx in indices] def _get_ctmrg_2x2_structure( peps_tensors: Sequence[jnp.ndarray], view: PEPS_Unit_Cell, orientation: CTMRG_Orientation, ) -> Tuple[List[List[jnp.ndarray]], List[List[PEPS_Tensor]]]: if orientation == "top-left": x_slice = slice(0, 2, None) y_slice = slice(0, 2, None) elif orientation == "top-right": x_slice = slice(0, 2, None) y_slice = slice(-1, 1, None) elif orientation == "bottom-left": x_slice = slice(-1, 1, None) y_slice = slice(0, 2, None) elif orientation == "bottom-right": x_slice = slice(-1, 1, None) y_slice = slice(-1, 1, None) else: raise ValueError("Invalid orientation.") indices = view.get_indices((x_slice, y_slice)) view_tensors = _tensor_list_from_indices(peps_tensors, indices) view_tensor_objs = view[x_slice, y_slice] return view_tensors, view_tensor_objs def do_left_absorption_structure_factor( peps_tensors: Sequence[jnp.ndarray], unitcell: PEPS_Unit_Cell, structure_factor_gates: Sequence[jnp.ndarray], structure_factor_outer_factor: float, structure_factor_inner_factors: Sequence[float], config: VariPEPS_Config, state: VariPEPS_Global_State, ) -> PEPS_Unit_Cell: """ Calculate the left CTMRG tensors after one absorption step and returns the updated unitcell. This routine also calculates the tensors including the phase factor for a structure factor calculation. Args: peps_tensors (:term:`sequence` of :obj:`jax.numpy.ndarray`): The sequence of unique PEPS tensors the unitcell consists of. unitcell (:obj:`~varipeps.peps.PEPS_Unit_Cell`): The unitcell to work on. structure_factor_gates (:term:`sequence` of :obj:`jax.numpy.ndarray`): The sequence with the observables which is absorbed into the CTM tensors containing the phase for the structure factor calculation. Expected to be a sequence where the gate is already multiplied with identities to match the physical dimension of the coarse-grained tensor structure_factor_outer_factor (:obj:`float`): The factor used to calculate the new tensors by shifting one site in the square lattice to the left. Likely something like ``jnp.exp(- 1j * q_vector @ r_vector)``. structure_factor_inner_factors (:term:`sequence` of :obj:`float`): For coarse-grained systems the sequence with the factors used to calculate the phase by shifting one site inside one coarse-grained square site. Set it to None, [] or [1] if system has no coarsed-grained structure. If used likely something like ``jnp.exp(- 1j * q_vector @ r_vector)``. config (:obj:`~varipeps.config.VariPEPS_Config`): Global configuration object of the variPEPS library. Please see its class definition for details. state (:obj:`~varipeps.global_state.VariPEPS_Global_State`): Global state object of the variPEPS library. It is used to transport a common state across different parts of the framework. Please see its class definition for details. Returns: :obj:`~varipeps.peps.PEPS_Unit_Cell`: New instance of the unitcell with the updated left CTMRG tensors of all elements of the unitcell. """ max_x, max_y = unitcell.get_size() left_projectors = Projector_Dict(max_x=max_x, max_y=max_y) working_unitcell = unitcell.copy() smallest_S_list = [] if ( structure_factor_inner_factors is None or len(structure_factor_inner_factors) == 0 ): structure_factor_inner_factors = (1,) for y, iter_columns in working_unitcell.iter_all_columns(only_unique=True): column_views = [view for view in iter_columns] for x, view in column_views: left_proj, smallest_S = calc_left_projectors( *_get_ctmrg_2x2_structure(peps_tensors, view, "top-left"), config, state ) left_projectors[(x, y)] = left_proj smallest_S_list.append(smallest_S) new_C1 = [] new_T4 = [] new_C4 = [] new_C1_phase = [] new_T4_phase = [] new_C4_phase = [] for x, view in column_views: working_tensor = peps_tensors[view.get_indices((0, 0))[0][0]] working_tensor_obj = view[0, 0][0][0] C1_projector = left_projectors.get_projector(x, y, -1, 0).bottom new_C1_tmp = apply_contraction_jitted( "ctmrg_absorption_left_C1", [working_tensor], [working_tensor_obj], [C1_projector], ) new_C1_phase_tmp_1 = apply_contraction_jitted( "ctmrg_absorption_left_C1_phase_1", [working_tensor], [working_tensor_obj], [C1_projector], ) new_C1_phase_tmp_2 = apply_contraction_jitted( "ctmrg_absorption_left_C1_phase_2", [working_tensor], [working_tensor_obj], [C1_projector], ) new_C1_phase_tmp = ( new_C1_phase_tmp_1 + new_C1_phase_tmp_2 ) * structure_factor_outer_factor new_C1_tmp_norm = jnp.linalg.norm(new_C1_tmp) new_C1.append(new_C1_tmp / new_C1_tmp_norm) new_C1_phase.append(new_C1_phase_tmp / new_C1_tmp_norm / 2) T4_projector_top = left_projectors.get_projector(x, y, -1, 0).top T4_projector_bottom = left_projectors.get_projector(x, y, 0, 0).bottom new_T4_tmp = apply_contraction_jitted( "ctmrg_absorption_left_T4_large_d", [working_tensor], [working_tensor_obj], [T4_projector_top, T4_projector_bottom], ) new_T4_phase_tmp = apply_contraction_jitted( "ctmrg_absorption_left_T4_large_d_phase_1", [working_tensor], [working_tensor_obj], [T4_projector_top, T4_projector_bottom], ) for i, factor in enumerate(structure_factor_inner_factors): new_T4_phase_tmp += ( apply_contraction_jitted( "ctmrg_absorption_left_T4_large_d_phase_2", [working_tensor], [working_tensor_obj], [ T4_projector_top, T4_projector_bottom, structure_factor_gates[i], ], ) * factor ) new_T4_phase_tmp = new_T4_phase_tmp * structure_factor_outer_factor new_T4_tmp_norm = jnp.linalg.norm(new_T4_tmp) new_T4.append(new_T4_tmp / new_T4_tmp_norm) new_T4_phase.append( new_T4_phase_tmp / new_T4_tmp_norm / (1 + len(structure_factor_inner_factors)) ) C4_projector = left_projectors.get_projector(x, y, 0, 0).top new_C4_tmp = apply_contraction_jitted( "ctmrg_absorption_left_C4", [working_tensor], [working_tensor_obj], [C4_projector], ) new_C4_phase_tmp_1 = apply_contraction_jitted( "ctmrg_absorption_left_C4_phase_1", [working_tensor], [working_tensor_obj], [C4_projector], ) new_C4_phase_tmp_2 = apply_contraction_jitted( "ctmrg_absorption_left_C4_phase_2", [working_tensor], [working_tensor_obj], [C4_projector], ) new_C4_phase_tmp = ( new_C4_phase_tmp_1 + new_C4_phase_tmp_2 ) * structure_factor_outer_factor new_C4_tmp_norm = jnp.linalg.norm(new_C4_tmp) new_C4.append(new_C4_tmp / new_C4_tmp_norm) new_C4_phase.append(new_C4_phase_tmp / new_C4_tmp_norm / 2) for x, view in column_views: view[0, 1] = view[0, 1][0][0].replace_left_env_tensors( new_C1[x], new_T4[x], new_C4[x], new_C1_phase[x], new_T4_phase[x], new_C4_phase[x], ) return working_unitcell, smallest_S_list def do_right_absorption_structure_factor( peps_tensors: Sequence[jnp.ndarray], unitcell: PEPS_Unit_Cell, structure_factor_gates: Sequence[jnp.ndarray], structure_factor_outer_factor: float, structure_factor_inner_factors: Sequence[float], config: VariPEPS_Config, state: VariPEPS_Global_State, ) -> PEPS_Unit_Cell: """ Calculate the right CTMRG tensors after one absorption step and returns the updated unitcell. This routine also calculates the tensors including the phase factor for a structure factor calculation. Args: peps_tensors (:term:`sequence` of :obj:`jax.numpy.ndarray`): The sequence of unique PEPS tensors the unitcell consists of. unitcell (:obj:`~varipeps.peps.PEPS_Unit_Cell`): The unitcell to work on. structure_factor_gates (:term:`sequence` of :obj:`jax.numpy.ndarray`): The sequence with the observables which is absorbed into the CTM tensors containing the phase for the structure factor calculation. Expected to be a sequence where the gate is already multiplied with identities to match the physical dimension of the coarse-grained tensor structure_factor_outer_factor (:obj:`float`): The factor used to calculate the new tensors by shifting one site in the square lattice to the right. Likely something like ``jnp.exp(- 1j * q_vector @ r_vector)``. structure_factor_inner_factors (:term:`sequence` of :obj:`float`): For coarse-grained systems the sequence with the factors used to calculate the phase by shifting one site inside one coarse-grained square site. Set it to None, [] or [1] if system has no coarsed-grained structure. If used likely something like ``jnp.exp(- 1j * q_vector @ r_vector)``. config (:obj:`~varipeps.config.VariPEPS_Config`): Global configuration object of the variPEPS library. Please see its class definition for details. state (:obj:`~varipeps.global_state.VariPEPS_Global_State`): Global state object of the variPEPS library. It is used to transport a common state across different parts of the framework. Please see its class definition for details. Returns: :obj:`~varipeps.peps.PEPS_Unit_Cell`: New instance of the unitcell with the updated right CTMRG tensors of all elements of the unitcell. """ max_x, max_y = unitcell.get_size() right_projectors = Projector_Dict(max_x=max_x, max_y=max_y) working_unitcell = unitcell.copy() smallest_S_list = [] if ( structure_factor_inner_factors is None or len(structure_factor_inner_factors) == 0 ): structure_factor_inner_factors = (1,) for y, iter_columns in working_unitcell.iter_all_columns( reverse=True, only_unique=True ): column_views = [view for view in iter_columns] for x, view in column_views: right_proj, smallest_S = calc_right_projectors( *_get_ctmrg_2x2_structure(peps_tensors, view, "top-right"), config, state, ) right_projectors[(x, y)] = right_proj smallest_S_list.append(smallest_S) new_C2 = [] new_T2 = [] new_C3 = [] new_C2_phase = [] new_T2_phase = [] new_C3_phase = [] for x, view in column_views: working_tensor = peps_tensors[view.get_indices((0, 0))[0][0]] working_tensor_obj = view[0, 0][0][0] C2_projector = right_projectors.get_projector(x, y, -1, 0).bottom new_C2_tmp = apply_contraction_jitted( "ctmrg_absorption_right_C2", [working_tensor], [working_tensor_obj], [C2_projector], ) new_C2_phase_tmp_1 = apply_contraction_jitted( "ctmrg_absorption_right_C2_phase_1", [working_tensor], [working_tensor_obj], [C2_projector], ) new_C2_phase_tmp_2 = apply_contraction_jitted( "ctmrg_absorption_right_C2_phase_2", [working_tensor], [working_tensor_obj], [C2_projector], ) new_C2_phase_tmp = ( new_C2_phase_tmp_1 + new_C2_phase_tmp_2 ) * structure_factor_outer_factor new_C2_tmp_norm = jnp.linalg.norm(new_C2_tmp) new_C2.append(new_C2_tmp / new_C2_tmp_norm) new_C2_phase.append(new_C2_phase_tmp / new_C2_tmp_norm / 2) T2_projector_top = right_projectors.get_projector(x, y, -1, 0).top T2_projector_bottom = right_projectors.get_projector(x, y, 0, 0).bottom new_T2_tmp = apply_contraction_jitted( "ctmrg_absorption_right_T2_large_d", [working_tensor], [working_tensor_obj], [T2_projector_top, T2_projector_bottom], ) new_T2_phase_tmp = apply_contraction_jitted( "ctmrg_absorption_right_T2_large_d_phase_1", [working_tensor], [working_tensor_obj], [T2_projector_top, T2_projector_bottom], ) for i, factor in enumerate(structure_factor_inner_factors): new_T2_phase_tmp += ( apply_contraction_jitted( "ctmrg_absorption_right_T2_large_d_phase_2", [working_tensor], [working_tensor_obj], [ T2_projector_top, T2_projector_bottom, structure_factor_gates[i], ], ) * factor ) new_T2_phase_tmp = new_T2_phase_tmp * structure_factor_outer_factor new_T2_tmp_norm = jnp.linalg.norm(new_T2_tmp) new_T2.append(new_T2_tmp / new_T2_tmp_norm) new_T2_phase.append( new_T2_phase_tmp / new_T2_tmp_norm / (1 + len(structure_factor_inner_factors)) ) C3_projector = right_projectors.get_projector(x, y, 0, 0).top new_C3_tmp = apply_contraction_jitted( "ctmrg_absorption_right_C3", [working_tensor], [working_tensor_obj], [C3_projector], ) new_C3_phase_tmp_1 = apply_contraction_jitted( "ctmrg_absorption_right_C3_phase_1", [working_tensor], [working_tensor_obj], [C3_projector], ) new_C3_phase_tmp_2 = apply_contraction_jitted( "ctmrg_absorption_right_C3_phase_2", [working_tensor], [working_tensor_obj], [C3_projector], ) new_C3_phase_tmp = ( new_C3_phase_tmp_1 + new_C3_phase_tmp_2 ) * structure_factor_outer_factor new_C3_tmp_norm = jnp.linalg.norm(new_C3_tmp) new_C3.append(new_C3_tmp / new_C3_tmp_norm) new_C3_phase.append(new_C3_phase_tmp / new_C3_tmp_norm / 2) for x, view in column_views: view[0, -1] = view[0, -1][0][0].replace_right_env_tensors( new_C2[x], new_T2[x], new_C3[x], new_C2_phase[x], new_T2_phase[x], new_C3_phase[x], ) return working_unitcell, smallest_S_list def do_top_absorption_structure_factor( peps_tensors: Sequence[jnp.ndarray], unitcell: PEPS_Unit_Cell, structure_factor_gates: Sequence[jnp.ndarray], structure_factor_outer_factor: float, structure_factor_inner_factors: Sequence[float], config: VariPEPS_Config, state: VariPEPS_Global_State, ) -> PEPS_Unit_Cell: """ Calculate the top CTMRG tensors after one absorption step and returns the updated unitcell. This routine also calculates the tensors including the phase factor for a structure factor calculation. Args: peps_tensors (:term:`sequence` of :obj:`jax.numpy.ndarray`): The sequence of unique PEPS tensors the unitcell consists of. unitcell (:obj:`~varipeps.peps.PEPS_Unit_Cell`): The unitcell to work on. structure_factor_gates (:term:`sequence` of :obj:`jax.numpy.ndarray`): The sequence with the observables which is absorbed into the CTM tensors containing the phase for the structure factor calculation. Expected to be a sequence where the gate is already multiplied with identities to match the physical dimension of the coarse-grained tensor structure_factor_outer_factor (:obj:`float`): The factor used to calculate the new tensors by shifting one site in the square lattice to the top. Likely something like ``jnp.exp(- 1j * q_vector @ r_vector)``. structure_factor_inner_factors (:term:`sequence` of :obj:`float`): For coarse-grained systems the sequence with the factors used to calculate the phase by shifting one site inside one coarse-grained square site. Set it to None, [] or [1] if system has no coarsed-grained structure. If used likely something like ``jnp.exp(- 1j * q_vector @ r_vector)``. config (:obj:`~varipeps.config.VariPEPS_Config`): Global configuration object of the variPEPS library. Please see its class definition for details. state (:obj:`~varipeps.global_state.VariPEPS_Global_State`): Global state object of the variPEPS library. It is used to transport a common state across different parts of the framework. Please see its class definition for details. Returns: :obj:`~varipeps.peps.PEPS_Unit_Cell`: New instance of the unitcell with the updated top CTMRG tensors of all elements of the unitcell. """ max_x, max_y = unitcell.get_size() top_projectors = Projector_Dict(max_x=max_x, max_y=max_y) working_unitcell = unitcell.copy() smallest_S_list = [] if ( structure_factor_inner_factors is None or len(structure_factor_inner_factors) == 0 ): structure_factor_inner_factors = (1,) for x, iter_rows in working_unitcell.iter_all_rows(only_unique=True): row_views = [view for view in iter_rows] for y, view in row_views: top_proj, smallest_S = calc_top_projectors( *_get_ctmrg_2x2_structure(peps_tensors, view, "top-left"), config, state ) top_projectors[(x, y)] = top_proj smallest_S_list.append(smallest_S) new_C1 = [] new_T1 = [] new_C2 = [] new_C1_phase = [] new_T1_phase = [] new_C2_phase = [] for y, view in row_views: working_tensor = peps_tensors[view.get_indices((0, 0))[0][0]] working_tensor_obj = view[0, 0][0][0] C1_projector = top_projectors.get_projector(x, y, 0, -1).right # type: ignore new_C1_tmp = apply_contraction_jitted( "ctmrg_absorption_top_C1", [working_tensor], [working_tensor_obj], [C1_projector], ) new_C1_phase_tmp_1 = apply_contraction_jitted( "ctmrg_absorption_top_C1_phase_1", [working_tensor], [working_tensor_obj], [C1_projector], ) new_C1_phase_tmp_2 = apply_contraction_jitted( "ctmrg_absorption_top_C1_phase_2", [working_tensor], [working_tensor_obj], [C1_projector], ) new_C1_phase_tmp = ( new_C1_phase_tmp_1 + new_C1_phase_tmp_2 ) * structure_factor_outer_factor new_C1_tmp_norm = jnp.linalg.norm(new_C1_tmp) new_C1.append(new_C1_tmp / new_C1_tmp_norm) new_C1_phase.append(new_C1_phase_tmp / new_C1_tmp_norm / 2) T1_projector_left = top_projectors.get_projector(x, y, 0, -1).left # type: ignore T1_projector_right = top_projectors.get_projector(x, y, 0, 0).right # type: ignore new_T1_tmp = apply_contraction_jitted( "ctmrg_absorption_top_T1_large_d", [working_tensor], [working_tensor_obj], [T1_projector_left, T1_projector_right], ) new_T1_phase_tmp = apply_contraction_jitted( "ctmrg_absorption_top_T1_large_d_phase_1", [working_tensor], [working_tensor_obj], [T1_projector_left, T1_projector_right], ) for i, factor in enumerate(structure_factor_inner_factors): new_T1_phase_tmp += ( apply_contraction_jitted( "ctmrg_absorption_top_T1_large_d_phase_2", [working_tensor], [working_tensor_obj], [ T1_projector_left, T1_projector_right, structure_factor_gates[i], ], ) * factor ) new_T1_phase_tmp = new_T1_phase_tmp * structure_factor_outer_factor new_T1_tmp_norm = jnp.linalg.norm(new_T1_tmp) new_T1.append(new_T1_tmp / new_T1_tmp_norm) new_T1_phase.append( new_T1_phase_tmp / new_T1_tmp_norm / (1 + len(structure_factor_inner_factors)) ) C2_projector = top_projectors.get_projector(x, y, 0, 0).left # type: ignore new_C2_tmp = apply_contraction_jitted( "ctmrg_absorption_top_C2", [working_tensor], [working_tensor_obj], [C2_projector], ) new_C2_phase_tmp_1 = apply_contraction_jitted( "ctmrg_absorption_top_C2_phase_1", [working_tensor], [working_tensor_obj], [C2_projector], ) new_C2_phase_tmp_2 = apply_contraction_jitted( "ctmrg_absorption_top_C2_phase_2", [working_tensor], [working_tensor_obj], [C2_projector], ) new_C2_phase_tmp = ( new_C2_phase_tmp_1 + new_C2_phase_tmp_2 ) * structure_factor_outer_factor new_C2_tmp_norm = jnp.linalg.norm(new_C2_tmp) new_C2.append(new_C2_tmp / new_C2_tmp_norm) new_C2_phase.append(new_C2_phase_tmp / new_C2_tmp_norm / 2) for y, view in row_views: view[1, 0] = view[1, 0][0][0].replace_top_env_tensors( new_C1[y], new_T1[y], new_C2[y], new_C1_phase[y], new_T1_phase[y], new_C2_phase[y], ) return working_unitcell, smallest_S_list def do_bottom_absorption_structure_factor( peps_tensors: Sequence[jnp.ndarray], unitcell: PEPS_Unit_Cell, structure_factor_gates: Sequence[jnp.ndarray], structure_factor_outer_factor: float, structure_factor_inner_factors: Sequence[float], config: VariPEPS_Config, state: VariPEPS_Global_State, ) -> PEPS_Unit_Cell: """ Calculate the bottom CTMRG tensors after one absorption step and returns the updated unitcell. This routine also calculates the tensors including the phase factor for a structure factor calculation. Args: peps_tensors (:term:`sequence` of :obj:`jax.numpy.ndarray`): The sequence of unique PEPS tensors the unitcell consists of. unitcell (:obj:`~varipeps.peps.PEPS_Unit_Cell`): The unitcell to work on. structure_factor_gates (:term:`sequence` of :obj:`jax.numpy.ndarray`): The sequence with the observables which is absorbed into the CTM tensors containing the phase for the structure factor calculation. Expected to be a sequence where the gate is already multiplied with identities to match the physical dimension of the coarse-grained tensor structure_factor_outer_factor (:obj:`float`): The factor used to calculate the new tensors by shifting one site in the square lattice to the bottom. Likely something like ``jnp.exp(- 1j * q_vector @ r_vector)``. structure_factor_inner_factors (:term:`sequence` of :obj:`float`): For coarse-grained systems the sequence with the factors used to calculate the phase by shifting one site inside one coarse-grained square site. Set it to None, [] or [1] if system has no coarsed-grained structure. If used likely something like ``jnp.exp(- 1j * q_vector @ r_vector)``. config (:obj:`~varipeps.config.VariPEPS_Config`): Global configuration object of the variPEPS library. Please see its class definition for details. state (:obj:`~varipeps.global_state.VariPEPS_Global_State`): Global state object of the variPEPS library. It is used to transport a common state across different parts of the framework. Please see its class definition for details. Returns: :obj:`~varipeps.peps.PEPS_Unit_Cell`: New instance of the unitcell with the updated bottom CTMRG tensors of all elements of the unitcell. """ max_x, max_y = unitcell.get_size() bottom_projectors = Projector_Dict(max_x=max_x, max_y=max_y) working_unitcell = unitcell.copy() smallest_S_list = [] if ( structure_factor_inner_factors is None or len(structure_factor_inner_factors) == 0 ): structure_factor_inner_factors = (1,) for x, iter_rows in working_unitcell.iter_all_rows(reverse=True, only_unique=True): row_views = [view for view in iter_rows] for y, view in row_views: bottom_proj, smallest_S = calc_bottom_projectors( *_get_ctmrg_2x2_structure(peps_tensors, view, "bottom-left"), config, state, ) bottom_projectors[(x, y)] = bottom_proj smallest_S_list.append(smallest_S) new_C4 = [] new_T3 = [] new_C3 = [] new_C4_phase = [] new_T3_phase = [] new_C3_phase = [] for y, view in row_views: working_tensor = peps_tensors[view.get_indices((0, 0))[0][0]] working_tensor_obj = view[0, 0][0][0] C4_projector = bottom_projectors.get_projector(x, y, 0, -1).right # type: ignore new_C4_tmp = apply_contraction_jitted( "ctmrg_absorption_bottom_C4", [working_tensor], [working_tensor_obj], [C4_projector], ) new_C4_phase_tmp_1 = apply_contraction_jitted( "ctmrg_absorption_bottom_C4_phase_1", [working_tensor], [working_tensor_obj], [C4_projector], ) new_C4_phase_tmp_2 = apply_contraction_jitted( "ctmrg_absorption_bottom_C4_phase_2", [working_tensor], [working_tensor_obj], [C4_projector], ) new_C4_phase_tmp = ( new_C4_phase_tmp_1 + new_C4_phase_tmp_2 ) * structure_factor_outer_factor new_C4_tmp_norm = jnp.linalg.norm(new_C4_tmp) new_C4.append(new_C4_tmp / new_C4_tmp_norm) new_C4_phase.append(new_C4_phase_tmp / new_C4_tmp_norm / 2) T3_projector_left = bottom_projectors.get_projector(x, y, 0, -1).left # type: ignore T3_projector_right = bottom_projectors.get_projector(x, y, 0, 0).right # type: ignore new_T3_tmp = apply_contraction_jitted( "ctmrg_absorption_bottom_T3_large_d", [working_tensor], [working_tensor_obj], [T3_projector_left, T3_projector_right], ) new_T3_phase_tmp = apply_contraction_jitted( "ctmrg_absorption_bottom_T3_large_d_phase_1", [working_tensor], [working_tensor_obj], [T3_projector_left, T3_projector_right], ) for i, factor in enumerate(structure_factor_inner_factors): new_T3_phase_tmp += ( apply_contraction_jitted( "ctmrg_absorption_bottom_T3_large_d_phase_2", [working_tensor], [working_tensor_obj], [ T3_projector_left, T3_projector_right, structure_factor_gates[i], ], ) * factor ) new_T3_phase_tmp = new_T3_phase_tmp * structure_factor_outer_factor new_T3_tmp_norm = jnp.linalg.norm(new_T3_tmp) new_T3.append(new_T3_tmp / new_T3_tmp_norm) new_T3_phase.append( new_T3_phase_tmp / new_T3_tmp_norm / (1 + len(structure_factor_inner_factors)) ) C3_projector = bottom_projectors.get_projector(x, y, 0, 0).left # type: ignore new_C3_tmp = apply_contraction_jitted( "ctmrg_absorption_bottom_C3", [working_tensor], [working_tensor_obj], [C3_projector], ) new_C3_phase_tmp_1 = apply_contraction_jitted( "ctmrg_absorption_bottom_C3_phase_1", [working_tensor], [working_tensor_obj], [C3_projector], ) new_C3_phase_tmp_2 = apply_contraction_jitted( "ctmrg_absorption_bottom_C3_phase_2", [working_tensor], [working_tensor_obj], [C3_projector], ) new_C3_phase_tmp = ( new_C3_phase_tmp_1 + new_C3_phase_tmp_2 ) * structure_factor_outer_factor new_C3_tmp_norm = jnp.linalg.norm(new_C3_tmp) new_C3.append(new_C3_tmp / new_C3_tmp_norm) new_C3_phase.append(new_C3_phase_tmp / new_C3_tmp_norm / 2) for y, view in row_views: view[-1, 0] = view[-1, 0][0][0].replace_bottom_env_tensors( new_C4[y], new_T3[y], new_C3[y], new_C4_phase[y], new_T3_phase[y], new_C3_phase[y], ) return working_unitcell, smallest_S_list def do_absorption_step_structure_factor( peps_tensors: Sequence[jnp.ndarray], unitcell: PEPS_Unit_Cell, structure_factor_gates: Sequence[jnp.ndarray], structure_factor_outer_factors: Sequence[float], structure_factor_inner_factors: Sequence[float], config: VariPEPS_Config, state: VariPEPS_Global_State, ) -> PEPS_Unit_Cell: """ Calculate the all CTMRG tensors after one absorption step and returns the updated unitcell. This routine also calculates the tensors including the phase factor for a structure factor calculation. Args: peps_tensors (:term:`sequence` of :obj:`jax.numpy.ndarray`): The sequence of unique PEPS tensors the unitcell consists of. unitcell (:obj:`~varipeps.peps.PEPS_Unit_Cell`): The unitcell to work on. structure_factor_gates (:term:`sequence` of :obj:`jax.numpy.ndarray`): The sequence with the observables which is absorbed into the CTM tensors containing the phase for the structure factor calculation. Expected to be a sequence where the gate is already multiplied with identities to match the physical dimension of the coarse-grained tensor structure_factor_outer_factors (:obj:`float`): The sequence with factors used to calculate the new tensors by shifting one site in the square lattice. Likely something like ``jnp.exp(- 1j * q_vector @ r_vector)``. If length two, the first argument will be used for bottom absorption and its complex conjugate for top and the second one for right and its complex conjugate for left absorption. If length four, it will be used in the order (top, bottom, left, right). structure_factor_inner_factors (:term:`sequence` of :obj:`float`): For coarse-grained systems the sequence with the factors used to calculate the phase by shifting one site inside one coarse-grained square site. Set it to None, [] or [1] if system has no coarsed-grained structure. If used likely something like ``jnp.exp(- 1j * q_vector @ r_vector)``. config (:obj:`~varipeps.config.VariPEPS_Config`): Global configuration object of the variPEPS library. Please see its class definition for details. state (:obj:`~varipeps.global_state.VariPEPS_Global_State`): Global state object of the variPEPS library. It is used to transport a common state across different parts of the framework. Please see its class definition for details. Returns: :obj:`~varipeps.peps.PEPS_Unit_Cell`: New instance of the unitcell with the all updated CTMRG tensors of all elements of the unitcell. """ if len(structure_factor_outer_factors) == 2: structure_factor_outer_factors = ( structure_factor_outer_factors[0].conj(), structure_factor_outer_factors[0], structure_factor_outer_factors[1].conj(), structure_factor_outer_factors[1], ) if len(structure_factor_outer_factors) != 4: raise ValueError("Length mismatch for outer factor list.") result, left_smallest_S = do_left_absorption_structure_factor( peps_tensors, unitcell, structure_factor_gates, structure_factor_outer_factors[2], structure_factor_inner_factors, config, state, ) result, top_smallest_S = do_top_absorption_structure_factor( peps_tensors, result, structure_factor_gates, structure_factor_outer_factors[0], structure_factor_inner_factors, config, state, ) result, right_smallest_S = do_right_absorption_structure_factor( peps_tensors, result, structure_factor_gates, structure_factor_outer_factors[3], structure_factor_inner_factors, config, state, ) result, bottom_smallest_S = do_bottom_absorption_structure_factor( peps_tensors, result, structure_factor_gates, structure_factor_outer_factors[1], structure_factor_inner_factors, config, state, ) norm_smallest_S = jnp.linalg.norm( jnp.asarray( left_smallest_S + top_smallest_S + right_smallest_S + bottom_smallest_S ), ord=jnp.inf, ) return result, norm_smallest_S