quant-met 0.0.6__py3-none-any.whl → 0.0.8__py3-none-any.whl

quant_met/mean_field/free_energy.py

@@ -1,130 +0,0 @@
-# SPDX-FileCopyrightText: 2024 Tjark Sievers
-#
-# SPDX-License-Identifier: MIT
-
-"""Functions to calculate the free energy of a BdG Hamiltonian."""
-
-import numpy as np
-import numpy.typing as npt
-
-from .base_hamiltonian import BaseHamiltonian
-
-
-def free_energy(
-    hamiltonian: BaseHamiltonian,
-    k_points: npt.NDArray[np.float64],
-) -> float:
-    """Calculate the free energy of a BdG Hamiltonian.
-
-    Parameters
-    ----------
-    hamiltonian : :class:`BaseHamiltonian`
-        Hamiltonian to be evaluated.
-    k_points : :class:`numpy.ndarray`
-        List of k points
-
-    Returns
-    -------
-    float
-        Free energy from the BdG Hamiltonian.
-
-    """
-    number_k_points = len(k_points)
-    bdg_energies, _ = hamiltonian.diagonalize_bdg(k_points)
-
-    k_array = np.array(
-        [
-            np.sum(np.abs(bdg_energies[k_index][0 : hamiltonian.number_of_bands]))
-            for k_index in range(number_k_points)
-        ]
-    )
-
-    integral: float = -np.sum(k_array, axis=-1) / number_k_points + np.sum(
-        np.power(np.abs(hamiltonian.delta_orbital_basis), 2) / hamiltonian.hubbard_int_orbital_basis
-    )
-
-    return integral
-
-
-def free_energy_complex_gap(
-    delta_vector: npt.NDArray[np.float64],
-    hamiltonian: BaseHamiltonian,
-    k_points: npt.NDArray[np.float64],
-) -> float:
-    """Calculate the free energy of a BdG Hamiltonian, with a complex order parameter.
-
-    Parameters
-    ----------
-    delta_vector : :class:`numpy.ndarray`
-        Delta in orbital basis, with consecutive floats getting converted into one complex number,
-        so [a, b, c, d] -> [a+b*j, c+d*j].
-    hamiltonian : :class:`BaseHamiltonian`
-        Hamiltonian to be evaluated.
-    k_points : :class:`numpy.ndarray`
-        List of k points
-
-    Returns
-    -------
-    float
-        Free energy from the BdG Hamiltonian.
-
-    """
-    hamiltonian.delta_orbital_basis = delta_vector[0::2] + 1j * delta_vector[1::2]
-
-    return free_energy(hamiltonian=hamiltonian, k_points=k_points)
-
-
-def free_energy_real_gap(
-    delta_vector: npt.NDArray[np.float64],
-    hamiltonian: BaseHamiltonian,
-    k_points: npt.NDArray[np.float64],
-) -> float:
-    """Calculate the free energy of a BdG Hamiltonian, with a real order parameter.
-
-    Parameters
-    ----------
-    delta_vector : :class:`numpy.ndarray`
-        Delta in orbital basis.
-    hamiltonian : :class:`BaseHamiltonian`
-        Hamiltonian to be evaluated.
-    k_points : :class:`numpy.ndarray`
-        List of k points
-
-    Returns
-    -------
-    float
-        Free energy from the BdG Hamiltonian.
-
-    """
-    hamiltonian.delta_orbital_basis = delta_vector.astype(np.complex64)
-
-    return free_energy(hamiltonian=hamiltonian, k_points=k_points)
-
-
-def free_energy_uniform_pairing(
-    delta: float,
-    hamiltonian: BaseHamiltonian,
-    k_points: npt.NDArray[np.float64],
-) -> float:
-    """Calculate the free energy of a BdG Hamiltonian, with uniform pairing constraint.
-
-    Parameters
-    ----------
-    delta : float
-        Delta.
-    hamiltonian : :class:`BaseHamiltonian`
-        Hamiltonian to be evaluated.
-    k_points : :class:`numpy.ndarray`
-        List of k points
-
-    Returns
-    -------
-    float
-        Free energy from the BdG Hamiltonian.
-
-    """
-    hamiltonian.delta_orbital_basis = np.full(
-        hamiltonian.number_of_bands, fill_value=delta, dtype=np.float64
-    ).astype(np.complex64)
-
-    return free_energy(hamiltonian=hamiltonian, k_points=k_points)

quant_met-0.0.6.dist-info/RECORD

@@ -1,24 +0,0 @@
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-quant_met/geometry/__init__.py,sha256=dWT4yYDBKsJUI9Hv1DDCGtqx-lDLQF6mH7xSRLomvD4,508
-quant_met/geometry/base_lattice.py,sha256=QVHuZVy6bOvBSITY_mKhr7hYW1jHJ5UAm3sMCFClYZ0,2276
-quant_met/geometry/bz_path.py,sha256=q_eNhKYjhKLeFNjio8BdKVsseO6slQKlwKKSQQYTVJQ,2497
-quant_met/geometry/graphene.py,sha256=37CZXj_NpFsnR1pPE_jFbrAiiMFhs1Q3FLlcgqG2pwM,1264
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-quant_met/mean_field/__init__.py,sha256=sXKp572huLdcqYEj0b9ojgefLiOiIHV7CH2XN54WU7E,1368
-quant_met/mean_field/_utils.py,sha256=plkx6eYjyYV3CT3BWwlulqW7L-Q0t1TzZTLR4k7u0dg,666
-quant_met/mean_field/base_hamiltonian.py,sha256=OUY3uMTU5iFmI77Ffm82BHuUJIk4VXKCr1U43t4LnO4,10778
-quant_met/mean_field/eg_x.py,sha256=w-6UcSVYPC-B58152aJpp0HDNoxyy46c6eXNZCGHi6Q,5805
-quant_met/mean_field/free_energy.py,sha256=59GPLJhyllyAJEZteAr6iYqCbHGFsmV1zcYxJ8Aw9Ao,3448
-quant_met/mean_field/graphene.py,sha256=8xMR43ndL5oJ7BbYBVGxWTLU5BscsE8ixTpPlCZzKO8,4917
-quant_met/mean_field/one_band_tight_binding.py,sha256=ZfZQZxcqoKRtx3oomQyXwuong81K5vKKg0cyjs5JJ48,4138
-quant_met/mean_field/quantum_metric.py,sha256=y-ky4bU566TNBxldaYWyloqojfpTODo9gbn4TPe6-4A,3902
-quant_met/mean_field/self_consistency.py,sha256=KzM7mIwGxzeN4cz82cUEI0AStWlJ6_slW-fiqvlTVPU,1412
-quant_met/mean_field/superfluid_weight.py,sha256=840Fe3aHOVz1W7hi5GrX69_QxQ3vmdy3H0_B852dZqA,3971
-quant_met/plotting/__init__.py,sha256=s-DS22impzozKiS7p-v3yCmeccDQfXmBbtPiYMKwH0Y,620
-quant_met/plotting/plotting.py,sha256=_SqL8GrDqlBtccHnUWpZPqdSJy0Yd_4dhFdUOxOzPpY,7447
-quant_met/utils.py,sha256=Tvw_YfqjIWx0FPGSReikSnw9xfN-T2dpQZN-KPMa69A,1709
-quant_met-0.0.6.dist-info/LICENSE.txt,sha256=QO_duPQihSJlaxSLxPAXo52X3esROP5wBkhxqBd1Z4E,1104
-quant_met-0.0.6.dist-info/LICENSES/MIT.txt,sha256=QO_duPQihSJlaxSLxPAXo52X3esROP5wBkhxqBd1Z4E,1104
-quant_met-0.0.6.dist-info/METADATA,sha256=h5yPoWNaZQtSKHdldRac4OekVvUca9kzu3AX0jZMU28,2829
-quant_met-0.0.6.dist-info/WHEEL,sha256=sP946D7jFCHeNz5Iq4fL4Lu-PrWrFsgfLXbbkciIZwg,88
-quant_met-0.0.6.dist-info/RECORD,,