qcheff.operators.dense_operator

Module Contents

Classes

DenseOperator

A dense matrix operator.

API

class DenseOperator

Bases: qcheff.operators.operator_base.OperatorMatrix

A dense matrix operator.

Parameters

op : qcheff_array The dense matrix operator. backend_module : ModuleType, optional The backend module of the operator. Defaults to the module of the input operator.

Attributes

op : qcheff_array The dense matrix operator. backend_module : ModuleType The backend module of the operator.

op: qcheff.operators.operator_base.qcheff_dense_array

None

backend_module: types.ModuleType

‘field(…)’

save(filename: str) → None

Save the operator to a file.

Parameters

filename : str The filename to save to.

classmethod load(filename: str) → qcheff.operators.dense_operator.DenseOperator

Load an operator from a file.

Parameters

filename : str The filename to load from.

Returns

op : DenseOperator The loaded operator.

Raises

FileNotFoundError If the file does not exist.

to(backend: str) → None

Convert the operator to a different backend.

Parameters

backend : str The backend to convert to.

Raises

ValueError If the conversion is not supported.

diagonals() → qcheff.operators.operator_base.qcheff_dense_array

Return the diagonal elements of the operator.

Returns

diagonals : qcheff_dense_array The diagonal elements of the operator.

couplings() → qcheff.operators.operator_base.qcheff_dense_array

Return the upper triangular elements of the operator.

Returns

couplings : qcheff_dense_array The upper triangular elements of the operator.