from dataclasses import dataclass import h5py import jax.numpy as jnp from jax import jit from varipeps.peps import PEPS_Tensor, PEPS_Unit_Cell from varipeps.contractions import apply_contraction from .model import Expectation_Model from typing import Sequence, List, Tuple, Union def _one_site_workhorse_body( density_matrix: jnp.ndarray, gates: Tuple[jnp.ndarray, ...], real_result: bool = False, ) -> List[jnp.ndarray]: norm = jnp.trace(density_matrix) if real_result: return [ jnp.real(jnp.tensordot(density_matrix, g, ((0, 1), (0, 1))) / norm) for g in gates ] else: return [ jnp.tensordot(density_matrix, g, ((0, 1), (0, 1))) / norm for g in gates ] _one_site_workhorse = jit(_one_site_workhorse_body, static_argnums=(2,)) def calc_one_site_multi_gates( peps_tensor: jnp.ndarray, peps_tensor_obj: PEPS_Tensor, gates: Sequence[jnp.ndarray] ) -> List[jnp.ndarray]: """ Calculate the one site expectation values for a PEPS tensor and its environment. Args: peps_tensor (:obj:`jax.numpy.ndarray`): The PEPS tensor array. Have to be the same object as the tensor attribute of the `peps_tensor_obj` argument. peps_tensor_obj (:obj:`~varipeps.peps.PEPS_Tensor`): PEPS tensor object. gates (:term:`sequence` of :obj:`jax.numpy.ndarray`): Sequence with the gates which should be applied to the PEPS tensor. Returns: :obj:`list` of :obj:`jax.numpy.ndarray`: List with the calculated expectation values of each gate. """ density_matrix = apply_contraction( "density_matrix_one_site", [peps_tensor], [peps_tensor_obj], [] ) real_result = all(jnp.allclose(g, g.T.conj()) for g in gates) return _one_site_workhorse(density_matrix, tuple(gates), real_result) def calc_one_site_single_gate( peps_tensor: jnp.ndarray, peps_tensor_obj: PEPS_Tensor, gate: jnp.ndarray ) -> jnp.ndarray: """ Calculate the one site expectation values for a PEPS tensor and its environment. This function just wraps :obj:`~varipeps.expectation.calc_one_site_multi_gates`. Args: peps_tensor (:obj:`jax.numpy.ndarray`): The PEPS tensor array. Have to be the same object as the tensor attribute of the `peps_tensor_obj` argument. peps_tensor_obj (:obj:`~varipeps.peps.PEPS_Tensor`): PEPS tensor object. gates (:obj:`jax.numpy.ndarray`): Gate which should be applied to the PEPS tensor. Returns: :obj:`jax.numpy.ndarray`: Expectation value for the gate. """ return calc_one_site_multi_gates(peps_tensor, peps_tensor_obj, [gate])[0] def calc_one_site_multi_gates_obj( peps_tensor_obj: PEPS_Tensor, gates: Sequence[jnp.ndarray] ) -> List[jnp.ndarray]: """ Calculate the one site expectation values for a PEPS tensor and its environment. This function just wraps :obj:`~varipeps.expectation.calc_one_site_multi_gates`. Args: peps_tensor_obj (:obj:`~varipeps.peps.PEPS_Tensor`): PEPS tensor object. gates (:term:`sequence` of :obj:`jax.numpy.ndarray`): Sequence with the gates which should be applied to the PEPS tensor. Returns: :obj:`list` of :obj:`jax.numpy.ndarray`: List with the calculated expectation values of each gate. """ return calc_one_site_multi_gates( jnp.asarray(peps_tensor_obj.tensor), peps_tensor_obj, gates ) def calc_one_site_single_gate_obj( peps_tensor_obj: PEPS_Tensor, gate: jnp.ndarray ) -> jnp.ndarray: """ Calculate the one site expectation values for a PEPS tensor and its environment. This function just wraps :obj:`~varipeps.expectation.calc_one_site_single_gate`. Args: peps_tensor_obj (:obj:`~varipeps.peps.PEPS_Tensor`): PEPS tensor object. gates (:obj:`jax.numpy.ndarray`): Gate which should be applied to the PEPS tensor. Returns: :obj:`jax.numpy.ndarray`: Expectation value for the gate. """ return calc_one_site_single_gate( jnp.asarray(peps_tensor_obj.tensor), peps_tensor_obj, gate ) @dataclass class One_Site_Expectation_Value(Expectation_Model): gates: Sequence[jnp.ndarray] def __call__( self, peps_tensors: Sequence[jnp.ndarray], unitcell: PEPS_Unit_Cell, *, normalize_by_size: bool = True, only_unique: bool = True, ) -> Union[jnp.ndarray, List[jnp.ndarray]]: result_type = ( jnp.float64 if all(jnp.allclose(g, jnp.real(g)) for g in self.gates) else jnp.complex128 ) result = [jnp.array(0, dtype=result_type) for _ in range(len(self.gates))] for x, iter_rows in unitcell.iter_all_rows(only_unique=only_unique): for y, view in iter_rows: working_tensor = peps_tensors[view.get_indices((0, 0))[0][0]] working_tensor_obj = view[0, 0][0][0] step_result = calc_one_site_multi_gates( working_tensor, working_tensor_obj, self.gates ) for sr_i, sr in enumerate(step_result): result[sr_i] += sr if normalize_by_size: if only_unique: size = unitcell.get_len_unique_tensors() else: size = unitcell.get_size()[0] * unitcell.get_size()[1] result = [r / size for r in result] if len(result) == 1: return result[0] else: return result def save_to_group(self, grp: h5py.Group): cls = type(self) grp.attrs["class"] = f"{cls.__module__}.{cls.__qualname__}" grp_gates = grp.create_group("gates", track_order=True) grp_gates.attrs["len"] = len(self.gates) for i, g in enumerate(self.gates): grp_gates.create_dataset( f"gate_{i:d}", data=g, compression="gzip", compression_opts=6 ) @classmethod def load_from_group(cls, grp: h5py.Group): if not grp.attrs["class"] == f"{cls.__module__}.{cls.__qualname__}": raise ValueError( "The HDF5 group suggests that this is not the right class to load data from it." ) gates = tuple( jnp.asarray(grp["gates"][f"gate_{i:d}"]) for i in range(grp["gates"].attrs["len"]) ) return cls(gates=gates)