from functools import partial import jax.numpy as jnp from jax import jit from varipeps.peps import PEPS_Tensor, PEPS_Unit_Cell from varipeps.contractions import apply_contraction_jitted from typing import Sequence @partial(jit, static_argnums=(4, 5)) def calc_structure_factor_expectation( peps_tensor_obj: PEPS_Tensor, alpha_gate: jnp.ndarray, beta_gate: jnp.array, structure_factor_inner_factors: Sequence[float], real_d: int, num_sites: int, ): if num_sites > 1: Id = jnp.eye(real_d ** (num_sites - 1)) full_alpha_gate = [jnp.kron(alpha_gate, Id)] alpha_gate_tmp = full_alpha_gate[0].reshape((real_d,) * 2 * num_sites) for i in range(1, num_sites): trans_order = list(range(1, num_sites)) + list( range(num_sites + 1, 2 * num_sites) ) trans_order.insert(i, 0) trans_order.insert(num_sites + i, num_sites) tmp_gate = alpha_gate_tmp.transpose(trans_order).reshape( real_d**num_sites, real_d**num_sites ) full_alpha_gate.append(tmp_gate * structure_factor_inner_factors[i].conj()) alpha_beta_gate = 0 # alpha_beta_gate_tmp_1 = alpha_beta_gate.reshape((real_d,) * 2 * num_sites) alpha_beta_gate_tmp_2 = jnp.kron( jnp.kron(alpha_gate, beta_gate), jnp.eye(real_d ** (num_sites - 2)) ).reshape((real_d,) * 2 * num_sites) for i in range(num_sites): for j in range(num_sites): if i == j: continue # if i == j: # trans_order = list(range(1, num_sites)) + list( # range(num_sites + 1, 2 * num_sites) # ) # trans_order.insert(i, 0) # trans_order.insert(num_sites + i, num_sites) # # tmp_gate = alpha_beta_gate_tmp_1.transpose(trans_order) # tmp_gate = tmp_gate.reshape(real_d**num_sites, real_d**num_sites) # # alpha_beta_gate += tmp_gate # else: trans_order = list(range(2, num_sites)) + list( range(num_sites + 2, 2 * num_sites) ) if i <= j: trans_order.insert(i, 0) trans_order.insert(j, 1) trans_order.insert(num_sites + i, num_sites) trans_order.insert(num_sites + j, num_sites + 1) else: trans_order.insert(j, 1) trans_order.insert(i, 0) trans_order.insert(num_sites + j, num_sites + 1) trans_order.insert(num_sites + i, num_sites) tmp_gate = alpha_beta_gate_tmp_2.transpose(trans_order) tmp_gate = tmp_gate.reshape(real_d**num_sites, real_d**num_sites) alpha_beta_gate += ( tmp_gate * structure_factor_inner_factors[i].conj() * structure_factor_inner_factors[j] ) else: full_alpha_gate = [alpha_gate] alpha_beta_gate = alpha_gate @ beta_gate density_matrix = apply_contraction_jitted( "density_matrix_one_site", [peps_tensor_obj.tensor], [peps_tensor_obj], [] ) norm = jnp.trace(density_matrix) result = jnp.tensordot(density_matrix, alpha_beta_gate, ((0, 1), (0, 1))) / norm density_matrix = apply_contraction_jitted( "density_matrix_one_site_C1_phase", [peps_tensor_obj.tensor], [peps_tensor_obj], [], ) for g in full_alpha_gate: result += jnp.tensordot(density_matrix, g, ((0, 1), (0, 1))) / norm density_matrix = apply_contraction_jitted( "density_matrix_one_site_C2_phase", [peps_tensor_obj.tensor], [peps_tensor_obj], [], ) for g in full_alpha_gate: result += jnp.tensordot(density_matrix, g, ((0, 1), (0, 1))) / norm density_matrix = apply_contraction_jitted( "density_matrix_one_site_C3_phase", [peps_tensor_obj.tensor], [peps_tensor_obj], [], ) for g in full_alpha_gate: result += jnp.tensordot(density_matrix, g, ((0, 1), (0, 1))) / norm density_matrix = apply_contraction_jitted( "density_matrix_one_site_C4_phase", [peps_tensor_obj.tensor], [peps_tensor_obj], [], ) for g in full_alpha_gate: result += jnp.tensordot(density_matrix, g, ((0, 1), (0, 1))) / norm density_matrix = apply_contraction_jitted( "density_matrix_one_site_T1_phase", [peps_tensor_obj.tensor], [peps_tensor_obj], [], ) for g in full_alpha_gate: result += jnp.tensordot(density_matrix, g, ((0, 1), (0, 1))) / norm density_matrix = apply_contraction_jitted( "density_matrix_one_site_T2_phase", [peps_tensor_obj.tensor], [peps_tensor_obj], [], ) for g in full_alpha_gate: result += jnp.tensordot(density_matrix, g, ((0, 1), (0, 1))) / norm density_matrix = apply_contraction_jitted( "density_matrix_one_site_T3_phase", [peps_tensor_obj.tensor], [peps_tensor_obj], [], ) for g in full_alpha_gate: result += jnp.tensordot(density_matrix, g, ((0, 1), (0, 1))) / norm density_matrix = apply_contraction_jitted( "density_matrix_one_site_T4_phase", [peps_tensor_obj.tensor], [peps_tensor_obj], [], ) for g in full_alpha_gate: result += jnp.tensordot(density_matrix, g, ((0, 1), (0, 1))) / norm return result