mandacaru 26.9.29__py3-none-any.whl

mandacaru/__init__.py

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+# -*- coding: utf-8 -*-
+# file: __init__.py
+
+# This code is part of Mandacaru. 
+# MIT License
+#
+# Copyright (c) 2026 Leandro Seixas Rocha <leandro.rocha@ilum.cnpem.br> 
+
+from .version import __version__
+
+
+def __getattr__(name):
+    # Lazy so `import mandacaru` stays light; `from mandacaru import Mandacaru` is
+    # the recommended entry point.
+    if name in ("Mandacaru", "BlochCalculator"):
+        from . import algorithms
+        return getattr(algorithms, name)
+    raise AttributeError(f"module 'mandacaru' has no attribute {name!r}")
+
+
+__all__ = ["__version__", "Mandacaru", "BlochCalculator"]

mandacaru/__main__.py

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+# -*- coding: utf-8 -*-
+# file: __main__.py
+
+# This code is part of Mandacaru.
+# MIT License
+#
+# Copyright (c) 2026 Leandro Seixas Rocha <leandro.rocha@ilum.cnpem.br>
+
+"""``python -m mandacaru`` -- the same entry point as the ``mandacaru`` script."""
+
+import sys
+
+from .cli import main
+
+sys.exit(main())

mandacaru/algorithms/__init__.py

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+# -*- coding: utf-8 -*-
+# file: __init__.py
+
+# This code is part of Mandacaru. 
+# MIT License
+#
+# Copyright (c) 2026 Leandro Seixas Rocha <leandro.rocha@ilum.cnpem.br>
+
+"""Variational quantum algorithms.
+
+The stable solvers: VQE, **ADAPT-VQE** (the default method everywhere), the
+excited-state extensions and the periodic :class:`BlochCalculator`, all reached
+through :class:`Mandacaru`.  Solvers outside the stable API plug in through
+:func:`register_method` and are not exported from here.
+"""
+
+from .adapt_vqe import ADAPTVQE, ADAPTVQEResult, AdaptIteration
+from .deflation import DeflationMixin, EnergyLevels
+from .dry_run import QubitEstimate, count_basis_functions, estimate_qubits
+from .bloch import BandStructure, BlochCalculator
+from .expressivity import (
+    ADAPTExpressivityTracker,
+    ExpressibilityResult,
+    ExpressibilityStep,
+    active_space_dimension,
+    calculate_haar_distribution,
+    calculate_kl_divergence,
+    compute_expressibility,
+    estimate_effective_dimension,
+    plot_expressivity_growth,
+    plot_fidelity_distribution,
+    sample_pqc_fidelities,
+    track_adapt_expressivity,
+)
+from .hartree_fock import (RHF, RHFResult, UHF, UHFResult, natural_orbitals,
+                           transform_integrals)
+from .subspace import (
+    SubspaceADAPTVQE,
+    SubspaceADAPTVQEResult,
+    SubspaceVQE,
+    SubspaceVQEResult,
+)
+from .base import format_pauli_sum
+from .calculator import (DEFAULT_METHOD, METHODS, STABLE_METHODS, Mandacaru,
+                         available_methods, experimental_methods,
+                         register_method, resolve_method)
+from .forces import ForceResult, hellmann_feynman_gradient, nuclear_gradient
+from .interaction import InteractionEnergy, interaction_energy
+from .rdm import electronic_energy, one_rdm, particle_number, two_rdm
+from .vqe import VQE, VQEResult
+from .qpe import (QPEMemoryEstimate, QPEResult, QuantumPhaseEstimation,
+                  phase_estimation, qpe_memory_estimate)
+
+__all__ = [
+    "VQE",
+    "VQEResult",
+    "QuantumPhaseEstimation",
+    "QPEResult",
+    "QPEMemoryEstimate",
+    "phase_estimation",
+    "qpe_memory_estimate",
+    "RHF",
+    "RHFResult",
+    "UHF",
+    "UHFResult",
+    "natural_orbitals",
+    "transform_integrals",
+    "ADAPTVQE",
+    "ADAPTVQEResult",
+    "AdaptIteration",
+    "BlochCalculator",
+    "BandStructure",
+    "EnergyLevels",
+    "SubspaceVQE",
+    "SubspaceVQEResult",
+    "SubspaceADAPTVQE",
+    "SubspaceADAPTVQEResult",
+    "compute_expressibility",
+    "ExpressibilityResult",
+    "ExpressibilityStep",
+    "sample_pqc_fidelities",
+    "calculate_kl_divergence",
+    "calculate_haar_distribution",
+    "active_space_dimension",
+    "estimate_effective_dimension",
+    "ADAPTExpressivityTracker",
+    "track_adapt_expressivity",
+    "plot_fidelity_distribution",
+    "plot_expressivity_growth",
+    "Mandacaru",
+    "QubitEstimate",
+    "estimate_qubits",
+    "count_basis_functions",
+    "METHODS",
+    "STABLE_METHODS",
+    "DEFAULT_METHOD",
+    "available_methods",
+    "experimental_methods",
+    "register_method",
+    "resolve_method",
+    "format_pauli_sum",
+    "nuclear_gradient",
+    "interaction_energy",
+    "InteractionEnergy",
+    "hellmann_feynman_gradient",
+    "ForceResult",
+    "one_rdm",
+    "two_rdm",
+    "electronic_energy",
+    "particle_number",
+]