修改库

.venv/lib/python3.12/site-packages/qredtea/torchapi/qteatorchtensor.py

@@ -1288,28 +1288,9 @@ class QteaTorchTensor(_AbstractQteaBaseTensor):
         To be able to work with all ranks, we currently avoid the numpy
         syntax in our implementation.
         """
-        lists = []
-        for ii, corner_ii in enumerate(corner_low):
-            corner_jj = corner_high[ii]
-            lists.append(list(range(corner_ii, corner_jj)))
-
-        shape = self.elem.shape
-        cdim = np.cumprod(np.array(shape[::-1], dtype=int))[::-1]
-        cdim = np.array(list(cdim[1:]) + [1], dtype=int)
-
-        # Reshape does not make a copy, but points to memory (unlike flatten)
-        self_1d = self.elem.reshape(-1)
-        sub_1d = tensor.elem.reshape(-1)
-
-        kk = -1
-        for elem in itertools.product(*lists):
-            kk += 1
-            elem = np.array(elem, dtype=int)
-            idx = np.sum(elem * cdim)
-
-            self_1d[idx] = sub_1d[kk]
-
-        # self._elem never changed shape, we are done
+        slices = tuple(slice(lo, hi) for lo, hi in zip(corner_low, corner_high))
+        shape = tuple(hi - lo for lo, hi in zip(corner_low, corner_high))
+        self._elem[slices] = tensor.elem.reshape(shape)
 
     def to_dense(self, true_copy=False):
         """Return dense tensor (if `true_copy=False`, same object may be returned)."""

.venv/lib/python3.12/site-packages/qtealeaves/operators/tnoperators.py

@@ -0,0 +1,416 @@
+# This code is part of qtealeaves.
+#
+# This code is licensed under the Apache License, Version 2.0. You may
+# obtain a copy of this license in the LICENSE.txt file in the root directory
+# of this source tree or at http://www.apache.org/licenses/LICENSE-2.0.
+#
+# Any modifications or derivative works of this code must retain this
+# copyright notice, and modified files need to carry a notice indicating
+# that they have been altered from the originals.
+
+"""
+Generic base class for operators.
+"""
+
+# pylint: disable=too-many-locals
+
+# pylint: disable-next=no-name-in-module
+from collections import OrderedDict
+
+import numpy as np
+
+from qtealeaves.tooling.operatorstrings import _op_string_mul
+from qtealeaves.tooling.parameterized import _ParameterizedClass
+
+__all__ = ["TNOperators"]
+
+
+class _DefaultMapping:
+    """Callable default mapping to avoid recreating closures during lookups."""
+
+    def __init__(self, default_key):
+        self.default_key = default_key
+
+    # pylint: disable-next=unused-argument
+    def __call__(self, site_idx):
+        return self.default_key
+
+
+class TNOperators(_ParameterizedClass):
+    """
+    Generic class to write operators. This class contains no pre-defined
+    operators. It allows you to start from scratch if no other operator
+    class fulfills your needs.
+
+    **Arguments**
+
+    set_names : list of str, optional
+        Name of the operators sets.
+        Default to `default`
+
+    mapping_func : callable (or `None`), optional
+        Mapping the site index to an operator. Arguments
+        `site_idx` must be accepted.
+        Default to `None` (default mapping to only operator set)
+    """
+
+    def __init__(self, set_names="default", mapping_func=None):
+        if isinstance(set_names, str):
+            set_names = [set_names]
+
+        self._ops_dicts = {}
+        for name in set_names:
+            if not isinstance(name, str):
+                raise TypeError(f"Set names must be str, but got `{type(name)}`.")
+            self._ops_dicts[name] = OrderedDict()
+        self._set_names = tuple(self._ops_dicts.keys())
+        self._one_unique = len(self._set_names) == 1
+
+        if mapping_func is None:
+            self._mapping_func = _DefaultMapping(self._set_names[0])
+        else:
+            self._mapping_func = mapping_func
+
+        # Mapping of operators (to avoid equal operators being defined twice)
+        # Can be set, e.g., for 2nd order operators.
+        self._has_2nd_order = False
+        self._mapping_op = {}
+
+    @property
+    def one_unique(self):
+        """Flag if only one operators set exists (True) or multiple (False)."""
+        return self._one_unique
+
+    @property
+    def mapping_func(self):
+        """Mapping function for site to operator set name."""
+        return self._mapping_func
+
+    @property
+    def set_names(self):
+        """Return operator set names as list of strings."""
+        return list(self._set_names)
+
+    def __len__(self):
+        """Lenght of TNOperators defined as number of operator sets."""
+        return len(self._ops_dicts)
+
+    def __contains__(self, key):
+        """Check if a key is inside the operators."""
+        key_a, key_b = self._parse_key(key)
+        if key_a not in self._ops_dicts:
+            return False
+
+        return key_b in self._ops_dicts[key_a]
+
+    def __delitem__(self, key):
+        """Delete entry in operators."""
+        key_a, key_b = self._parse_key(key)
+        del self._ops_dicts[key_a][key_b]
+
+    def __getitem__(self, key):
+        """Extract entry by key."""
+        key_a, key_b = self._parse_key(key)
+        return self._ops_dicts[key_a][key_b]
+
+    def __setitem__(self, key, value):
+        """Set entry by key."""
+        key_a, key_b = self._parse_key(key, callee_set=True)
+        self._ops_dicts[key_a][key_b] = value
+
+    def __iter__(self):
+        """Iterate through all keys (of all operators sets)."""
+        for key, value in self._ops_dicts.items():
+            for subkey in value:
+                yield (key, subkey)
+
+    def items(self):
+        """Iterate throught all (key, value) pairs of all operators sets."""
+        for key, value in self._ops_dicts.items():
+            for subkey, subvalue in value.items():
+                yield (key, subkey), subvalue
+
+    def _parse_key(self, key, callee_set=False):
+        """
+        Parse the key and split into operator set key and operator name key.
+
+        **Arguments**
+
+        key : tuple (or str)
+            Key as tuple of length two (or operator name).
+
+        callee_set : bool, optional
+            Indicate if callee is `__setitem__`.
+            Default to `False`.
+        """
+        if isinstance(key, str) and self.one_unique:
+            return self._set_names[0], key
+
+        if isinstance(key, str):
+            raise ValueError("Operators are not unique, indicate index.")
+
+        if len(key) != 2:
+            raise ValueError("Operators are not unique, indicate index.")
+
+        if isinstance(key[0], str):
+            # str for operator set name
+            key_0 = key[0]
+        elif isinstance(key[0], (int, np.int64)) and callee_set:
+            raise ValueError("Cannot set entry via integer entry (per site).")
+        elif isinstance(key[0], (int, np.int64)):
+            # int for site, use mapping
+            # pylint: disable-next=not-callable
+            key_0 = self.mapping_func(key[0])
+        else:
+            raise ValueError(f"First entry must be set name or int, but `{key[0]}`.")
+
+        if not isinstance(key[1], str):
+            raise ValueError(
+                f"Second entry must specify operator name, but `{key[1]}`."
+            )
+
+        return key_0, key[1]
+
+    def get_operator(self, site_idx_1d, operator_name, params):
+        """
+        Provide a method to return any operator, either defined via
+        a callable or directly as a matrix.
+
+        **Arguments**
+
+        site_idx_1d : int, str
+            If int, site where we need the operator. Mapping will evaluate what
+            to return.
+            If str, name of operator set.
+
+        operator_name : str
+            Tag/identifier of the operator.
+
+        params : dict
+            Simulation parameters as a dictionary; dict is passed
+            to callable.
+        """
+        if isinstance(site_idx_1d, (int, np.int64)):
+            # pylint: disable-next=not-callable
+            key_0 = self._mapping_func(site_idx_1d)
+        else:
+            key_0 = site_idx_1d
+        op_mat = self.eval_numeric_param(self._ops_dicts[key_0][operator_name], params)
+        return op_mat
+
+    def get_local_links(self, num_sites, params):
+        """
+        Extract the local links from the operators.
+
+        **Arguments**
+
+        num_sites : integer
+            Number of sites.
+
+        params : dict
+            Dictionary with parameterization of the simulation.
+        """
+        local_links = []
+        for ii in range(num_sites):
+            eye = self.get_operator(ii, "id", params)
+
+            if hasattr(eye, "links"):
+                local_links.append(eye.links[1])
+            else:
+                # When constructing H, we call this with numpy tensors
+                local_links.append(eye.shape[0])
+
+        return local_links
+
+    def transform(self, transformation, **kwargs):
+        """
+        Generate a new :class:`TNOperators` by transforming the
+        current instance.
+
+        **Arguments**
+
+        transformation : callable
+            Accepting key and value as arguments plus potential
+            keyword arguments.
+
+        **kwargs : key-word arguments
+            Will be passed to `transformation`
+        """
+        new_ops = TNOperators(set_names=self.set_names, mapping_func=self.mapping_func)
+        for key, value in self.items():
+            new_ops[key] = transformation(key, value, **kwargs)
+
+        return new_ops
+
+    def check_alternative_op(self, set_name, key):
+        """
+        Check entry for alternative operators, i.e., the sigma_x squared
+        is the identity.
+
+        Arguments
+        ---------
+
+        set_name : str
+            Search in this set name of operators. (Set names allow
+            different Hilbert spaces on different sites.)
+
+        key : str
+            Operator represented as key. Check if there is an alternative
+            key for this key.
+
+        Returns
+        -------
+
+        alternative_key : None | str
+            If `None`, no alternative key is given or the corresponding
+            dictionary for checking is not set. If str, then this operator
+            has the same representation as `key`.
+        """
+        set_dict = self._mapping_op.get(set_name, None)
+        if set_dict is None:
+            return None
+
+        return self._mapping_op[set_name].get(key, None)
+
+    # pylint: disable-next=too-many-branches
+    def generate_products_2nd_order(
+        self,
+        left_conj=False,
+        left_transpose=False,
+        right_conj=False,
+        right_transpose=False,
+    ):
+        """
+        Generate all possible multiplications (matrix-matrix multiplications) of
+        the operator set, i.e., [A, B, ...] generators [A*A, A*B, B*A, B*B, ...].
+        Transformation can be taken into account on top.
+
+        Arguments
+        ---------
+
+        left_conj : Boolean
+            Tells if the left operator needs to be complex conjugated.
+            Default is False.
+
+        right_transpose : Boolean
+            Tells if the left operator needs to be transposed.
+            Default is False.
+
+        right_conj : Boolean
+            Tells if the right operator needs to be complex conjugated.
+            Default is False.
+
+        right_transpose : Boolean
+            Tells if the right operator needs to be transposed.
+            Default is False.
+
+        Returns
+        -------
+
+        None (in-place update of the operator dictionary)
+
+        """
+        if self._has_2nd_order:
+            return
+
+        self._has_2nd_order = True
+
+        additional_ops = {}
+        for set_name in self.set_names:
+            additional_ops[set_name] = {}
+
+            for op_str_a, op_a in self._ops_dicts[set_name].items():
+                for op_str_b, op_b in self._ops_dicts[set_name].items():
+                    op_str = _op_string_mul("", op_str_a, left_conj, left_transpose)
+                    op_str = _op_string_mul(
+                        op_str, op_str_b, right_conj, right_transpose
+                    )
+                    op_str = op_str_a + "*" + op_str_b
+                    if (op_str_a == "id") and (op_str_b == "id"):
+                        additional_ops[set_name][op_str] = "id"
+                    elif (
+                        (op_str_a == "id")
+                        and (not right_conj)
+                        and (not right_transpose)
+                    ):
+                        additional_ops[set_name][op_str] = op_str_b
+                    elif (
+                        (op_str_b == "id") and (not left_conj) and (not left_transpose)
+                    ):
+                        additional_ops[set_name][op_str] = op_str_a
+                    elif op_a.has_symmetry:
+                        tmp_a = _op_transformation(op_a, left_conj, left_transpose)
+                        tmp_b = _op_transformation(op_b, right_conj, right_transpose)
+
+                        op = tmp_a.tensordot(tmp_b, [(2,), (1,)])
+                        _, op = op.split_qr([0, 3, 1, 4], [2, 5])
+                        op, _ = op.split_rq([0, 1], [2, 3, 4])
+                        additional_ops[set_name][op_str] = op
+                    else:
+                        tmp_a = _op_transformation(op_a, left_conj, left_transpose)
+                        tmp_b = _op_transformation(op_b, right_conj, right_transpose)
+
+                        op = tmp_a.einsum("ijkl,akbd->ijbl", tmp_b)
+                        additional_ops[set_name][op_str] = op
+
+            # Check they are really new and not identical to existing ones
+            # to get the smallest set
+            to_be_added = {}
+            to_be_reset = {}
+            for key, op in additional_ops[set_name].items():
+                if isinstance(op, str):
+                    continue
+
+                for key_ii, op_ii in self._ops_dicts[set_name].items():
+                    if op.are_equal(op_ii, tol=10 * op.dtype_eps):
+                        to_be_reset[key] = key_ii
+                    else:
+                        to_be_added[key] = op
+                        continue
+
+            for key, value in to_be_added.items():
+                self._ops_dicts[set_name][key] = value
+
+            for key, value in to_be_reset.items():
+                additional_ops[set_name][key] = value
+
+        for set_name, set_dict in additional_ops.items():
+            if set_name not in self._mapping_op:
+                self._mapping_op[set_name] = {}
+
+            for key, value in set_dict.items():
+                self._mapping_op[set_name][key] = value
+
+
+def _op_transformation(op, is_conj, is_transpose):
+    """
+    Carry out the transformation on an operator.
+
+    Arguments
+    ---------
+
+    op : :class:`_AbstractQteaTensor`
+        Tensor to be transformed. We assume rank-4 tensors.
+
+    is_conj : bool
+        Flag if conjugate is applied.
+
+    is_transpose : bool
+        Flag if transpose is applied.
+
+    Returns
+    -------
+
+    new_op : :class:`_AbstractQteaTensor`
+        Operator after the transformations.
+    """
+    if is_conj and is_transpose:
+        new_op = op.conj().transpose([0, 2, 1, 3])
+    elif is_conj:
+        new_op = op.conj()
+    elif is_transpose:
+        new_op = op.transpose([0, 2, 1, 3])
+    else:
+        new_op = op
+
+    return new_op

.venv/lib/python3.12/site-packages/qtealeaves/tooling/permutations.py

@@ -0,0 +1,55 @@
+# This code is part of qtealeaves.
+#
+# This code is licensed under the Apache License, Version 2.0. You may
+# obtain a copy of this license in the LICENSE.txt file in the root directory
+# of this source tree or at http://www.apache.org/licenses/LICENSE-2.0.
+#
+# Any modifications or derivative works of this code must retain this
+# copyright notice, and modified files need to carry a notice indicating
+# that they have been altered from the originals.
+
+"""
+Common permutations often used in tensor network methods.
+"""
+from functools import lru_cache
+
+__all__ = []
+
+
+@lru_cache(maxsize=None)
+def _transpose_idx1(num_legs, contracted_idx):
+    """Move second last index instead of last in `_transpose_idx`."""
+    return _transpose_idx(num_legs - 1, contracted_idx) + (num_legs - 1,)
+
+
+@lru_cache(maxsize=None)
+def _transpose_idx2(num_legs, contracted_idx):
+    """Move third last index instead of last in `_transpose_idx`."""
+    return _transpose_idx(num_legs - 2, contracted_idx) + (
+        num_legs - 2,
+        num_legs - 1,
+    )
+
+
+@lru_cache(maxsize=None)
+def _transpose_idx(num_legs, contracted_idx):
+    """
+    Transpose in the original order the indexes
+    of a n-legs tensor contracted over the
+    index `contracted_idx`
+
+    Parameters
+    ----------
+    contracted_idx : int
+        Index over which there has been a contraction
+
+    Returns
+    -------
+    tuple
+        Indexes for the transposition
+    """
+    if contracted_idx > num_legs - 1:
+        raise ValueError(
+            f"Cannot contract leg {contracted_idx} of tensor with {num_legs} legs"
+        )
+    return (*range(contracted_idx), num_legs - 1, *range(contracted_idx, num_legs - 1))

.venv/lib/python3.12/site-packages/quimb/tensor/tn1d/core.py

@@ -5050,7 +5050,8 @@ class TNLinearOperator1D(spla.LinearOperator):
 
         if self.is_conj:
             T = T.conj()
-
+        print(T)
+        assert(0)
         return T.to_dense(self.left_inds, self.right_inds)
 
     def toarray(self):