quant-met 0.0.16__py3-none-any.whl → 0.0.18__py3-none-any.whl

quant_met/mean_field/hamiltonians/three_band_tight_binding.py

@@ -22,7 +22,7 @@ class ThreeBand(BaseHamiltonian[ThreeBandParameters]):
         self.hopping = parameters.hopping
         self.chemical_potential = parameters.chemical_potential
         if parameters.delta is not None:
-            self.delta_orbital_basis = np.astype(parameters.delta, np.complex64)
+            self.delta_orbital_basis = parameters.delta.astype(np.complex128)
 
     def setup_lattice(self, parameters: ThreeBandParameters) -> SquareLattice:  # noqa: D102
         return SquareLattice(lattice_constant=parameters.lattice_constant)
@@ -31,7 +31,7 @@ class ThreeBand(BaseHamiltonian[ThreeBandParameters]):
     def get_parameters_model(cls) -> type[ThreeBandParameters]:  # noqa: D102
         return ThreeBandParameters
 
-    def hamiltonian(self, k: npt.NDArray[np.float64]) -> npt.NDArray[np.complex64]:  # noqa: D102
+    def hamiltonian(self, k: npt.NDArray[np.floating]) -> npt.NDArray[np.complexfloating]:  # noqa: D102
         assert _check_valid_array(k)
         hopping = self.hopping
         lattice_constant = self.lattice.lattice_constant
@@ -39,7 +39,7 @@ class ThreeBand(BaseHamiltonian[ThreeBandParameters]):
         if k.ndim == 1:
             k = np.expand_dims(k, axis=0)
 
-        h = np.zeros((k.shape[0], self.number_of_bands, self.number_of_bands), dtype=np.complex64)
+        h = np.zeros((k.shape[0], self.number_of_bands, self.number_of_bands), dtype=np.complex128)
 
         h[:, 0, 0] = (
             -2 * hopping * (np.cos(k[:, 1] * lattice_constant) + np.cos(k[:, 0] * lattice_constant))
@@ -60,8 +60,8 @@ class ThreeBand(BaseHamiltonian[ThreeBandParameters]):
         return h.squeeze()
 
     def hamiltonian_derivative(  # noqa: D102
-        self, k: npt.NDArray[np.float64], direction: str
-    ) -> npt.NDArray[np.complex64]:
+        self, k: npt.NDArray[np.floating], direction: str
+    ) -> npt.NDArray[np.complexfloating]:
         assert _check_valid_array(k)
         assert direction in ["x", "y"]
 
@@ -70,7 +70,7 @@ class ThreeBand(BaseHamiltonian[ThreeBandParameters]):
         if k.ndim == 1:
             k = np.expand_dims(k, axis=0)
 
-        h = np.zeros((k.shape[0], self.number_of_bands, self.number_of_bands), dtype=np.complex64)
+        h = np.zeros((k.shape[0], self.number_of_bands, self.number_of_bands), dtype=np.complex128)
 
         if direction == "x":
             h[:, 0, 0] = -2 * hopping * lattice_constant * np.sin(lattice_constant * k[:, 0])

quant_met/mean_field/hamiltonians/two_band_tight_binding.py

@@ -22,7 +22,7 @@ class TwoBand(BaseHamiltonian[TwoBandParameters]):
         self.hopping = parameters.hopping
         self.chemical_potential = parameters.chemical_potential
         if parameters.delta is not None:
-            self.delta_orbital_basis = np.astype(parameters.delta, np.complex64)
+            self.delta_orbital_basis = parameters.delta.astype(np.complex128)
 
     def setup_lattice(self, parameters: TwoBandParameters) -> SquareLattice:  # noqa: D102
         return SquareLattice(lattice_constant=parameters.lattice_constant)
@@ -31,7 +31,7 @@ class TwoBand(BaseHamiltonian[TwoBandParameters]):
     def get_parameters_model(cls) -> type[TwoBandParameters]:  # noqa: D102
         return TwoBandParameters
 
-    def hamiltonian(self, k: npt.NDArray[np.float64]) -> npt.NDArray[np.complex64]:  # noqa: D102
+    def hamiltonian(self, k: npt.NDArray[np.floating]) -> npt.NDArray[np.complexfloating]:  # noqa: D102
         assert _check_valid_array(k)
         hopping = self.hopping
         lattice_constant = self.lattice.lattice_constant
@@ -39,7 +39,7 @@ class TwoBand(BaseHamiltonian[TwoBandParameters]):
         if k.ndim == 1:
             k = np.expand_dims(k, axis=0)
 
-        h = np.zeros((k.shape[0], self.number_of_bands, self.number_of_bands), dtype=np.complex64)
+        h = np.zeros((k.shape[0], self.number_of_bands, self.number_of_bands), dtype=np.complex128)
 
         h[:, 0, 0] = (
             -2 * hopping * (np.cos(k[:, 1] * lattice_constant) + np.cos(k[:, 0] * lattice_constant))
@@ -53,8 +53,8 @@ class TwoBand(BaseHamiltonian[TwoBandParameters]):
         return h.squeeze()
 
     def hamiltonian_derivative(  # noqa: D102
-        self, k: npt.NDArray[np.float64], direction: str
-    ) -> npt.NDArray[np.complex64]:
+        self, k: npt.NDArray[np.floating], direction: str
+    ) -> npt.NDArray[np.complexfloating]:
         assert _check_valid_array(k)
         assert direction in ["x", "y"]
 
@@ -63,7 +63,7 @@ class TwoBand(BaseHamiltonian[TwoBandParameters]):
         if k.ndim == 1:
             k = np.expand_dims(k, axis=0)
 
-        h = np.zeros((k.shape[0], self.number_of_bands, self.number_of_bands), dtype=np.complex64)
+        h = np.zeros((k.shape[0], self.number_of_bands, self.number_of_bands), dtype=np.complex128)
 
         if direction == "x":
             h[:, 0, 0] = -2 * hopping * lattice_constant * np.sin(lattice_constant * k[:, 0])

quant_met/mean_field/quantum_metric.py

@@ -12,8 +12,8 @@ from quant_met.parameters import GenericParameters
 
 
 def quantum_metric(
-    h: BaseHamiltonian[GenericParameters], k: npt.NDArray[np.float64], bands: list[int]
-) -> npt.NDArray[np.float64]:
+    h: BaseHamiltonian[GenericParameters], k: npt.NDArray[np.floating], bands: list[int]
+) -> npt.NDArray[np.floating]:
     """Calculate the quantum metric (geometric tensor) for specified bands.
 
     This function computes the quantum geometric tensor associated with
@@ -43,7 +43,7 @@ def quantum_metric(
 
     number_k_points = len(k)
 
-    quantum_geom_tensor = np.zeros(shape=(2, 2), dtype=np.complex64)
+    quantum_geom_tensor = np.zeros(shape=(2, 2), dtype=np.complex128)
 
     for band in bands:
         for i, direction_1 in enumerate(["x", "y"]):

quant_met/mean_field/search_crit_temp.py

@@ -28,7 +28,7 @@ logger = logging.getLogger(__name__)
 def _get_bounds(
     initial_temp: float,
     gap_for_temp_partial: partial[dict[str, Any] | None],
-    zero_temperature_gap: npt.NDArray[np.complex64],
+    zero_temperature_gap: npt.NDArray[np.complexfloating],
 ) -> tuple[list[dict[str, Any]], float, float]:  # pragma: no cover
     delta_vs_temp_list = []
     zero_gap_temp = nonzero_gap_temp = 0.0
@@ -128,7 +128,7 @@ def _fit_for_crit_temp(
 def _gap_for_temp(
     temp: float,
     h: BaseHamiltonian[GenericParameters],
-    k_space_grid: npt.NDArray[np.float64],
+    k_space_grid: npt.NDArray[np.floating],
     epsilon: float,
     max_iter: int = 1000,
 ) -> dict[str, Any] | None:  # pragma: no cover
@@ -155,7 +155,7 @@ def _gap_for_temp(
 
 def search_crit_temp(
     h: BaseHamiltonian[GenericParameters],
-    k_space_grid: npt.NDArray[np.float64],
+    k_space_grid: npt.NDArray[np.floating],
     epsilon: float,
     max_iter: int,
     n_temp_points: int,

quant_met/mean_field/self_consistency.py

@@ -17,9 +17,10 @@ logger = logging.getLogger(__name__)
 
 def self_consistency_loop(
     h: BaseHamiltonian[GenericParameters],
-    k_space_grid: npt.NDArray[np.float64],
+    k_space_grid: npt.NDArray[np.floating],
     epsilon: float,
     max_iter: int = 1000,
+    delta_init: npt.NDArray[np.complex128] | None = None,
 ) -> BaseHamiltonian[GenericParameters]:
     """Self-consistently solves the gap equation for a given Hamiltonian.
 
@@ -35,12 +36,14 @@ def self_consistency_loop(
 
     k_space_grid : :class:`numpy.ndarray`
         A grid of points in the Brillouin zone at which the gap equation is evaluated.
-        See
 
     epsilon : float
         The convergence criterion. The loop will terminate when the change
         in the delta orbital basis is less than this value.
 
+    delta_init : :class:`numpy.ndarray`
+        Initial gaps in orbital basis.
+
     max_iter : int
         Maximal number of iterations, default 300.
 
@@ -58,12 +61,13 @@ def self_consistency_loop(
     """
     logger.info("Starting self-consistency loop.")
 
-    rng = np.random.default_rng()
-    delta_init = np.zeros(shape=h.delta_orbital_basis.shape, dtype=np.complex64)
-    delta_init += (0.2 * rng.random(size=h.delta_orbital_basis.shape) - 1) + 1.0j * (
-        0.2 * rng.random(size=h.delta_orbital_basis.shape) - 1
-    )
-    h.delta_orbital_basis = delta_init
+    if delta_init is None:
+        rng = np.random.default_rng()
+        delta_init = np.zeros(shape=h.delta_orbital_basis.shape, dtype=np.complex128)
+        delta_init += (0.2 * rng.random(size=h.delta_orbital_basis.shape) - 1) + 1.0j * (
+            0.2 * rng.random(size=h.delta_orbital_basis.shape) - 1
+        )
+    h.delta_orbital_basis = delta_init  # type: ignore[assignment]
     logger.debug("Initial gaps set to: %s", h.delta_orbital_basis)
 
     iteration_count = 0
@@ -80,7 +84,7 @@ def self_consistency_loop(
         logger.debug("New gaps computed: %s", new_gap)
 
         if np.allclose(h.delta_orbital_basis, new_gap, atol=1e-10, rtol=epsilon):
-            h.delta_orbital_basis = new_gap
+            h.delta_orbital_basis = new_gap  # type: ignore[assignment]
             logger.info("Convergence achieved after %d iterations.", iteration_count)
             return h
 

quant_met/parameters/__init__.py

@@ -36,14 +36,14 @@ from .hamiltonians import (
 from .main import Control, KPoints, Parameters
 
 __all__ = [
-    "Parameters",
     "Control",
-    "KPoints",
-    "HamiltonianParameters",
     "DressedGrapheneParameters",
+    "GenericParameters",
     "GrapheneParameters",
+    "HamiltonianParameters",
+    "KPoints",
     "OneBandParameters",
-    "TwoBandParameters",
+    "Parameters",
     "ThreeBandParameters",
-    "GenericParameters",
+    "TwoBandParameters",
 ]

quant_met/parameters/hamiltonians.py

@@ -77,9 +77,9 @@ class DressedGrapheneParameters(HamiltonianParameters):
         The lattice constant of the model.
     chemical_potential : float
         The chemical potential.
-    hubbard_int_orbital_basis : npt.NDArray[np.float64]
+    hubbard_int_orbital_basis : npt.NDArray[np.floating]
         Hubbard interaction in the orbital basis.
-    delta : npt.NDArray[np.complex64] | None
+    delta : npt.NDArray[np.complexfloating] | None
         Initial value for gaps in orbital space.
     """
 
@@ -92,7 +92,7 @@ class DressedGrapheneParameters(HamiltonianParameters):
     hubbard_int_orbital_basis: NDArray[Shape["3"], np.float64] = Field(
         ..., description="Hubbard interaction in orbital basis"
     )
-    delta: NDArray[Shape["3"], np.complex64] | None = Field(
+    delta: NDArray[Shape["3"], np.complex128] | None = Field(
         default=None, description="Initial value for gaps in orbital space"
     )
 
@@ -115,7 +115,7 @@ class GrapheneParameters(HamiltonianParameters):
     hubbard_int_orbital_basis: NDArray[Shape["2"], np.float64] = Field(
         ..., description="Hubbard interaction in orbital basis"
     )
-    delta: NDArray[Shape["2"], np.complex64] | None = None
+    delta: NDArray[Shape["2"], np.complex128] | None = None
 
     _check_positive_values = field_validator("hopping", "lattice_constant")(check_positive_values)
 
@@ -131,10 +131,10 @@ class OneBandParameters(HamiltonianParameters):
     hopping: float
     lattice_constant: float
     chemical_potential: float
-    hubbard_int_orbital_basis: NDArray[Shape["1"], np.float64] = Field(
+    hubbard_int_orbital_basis: NDArray[Shape["1"], np.floating] = Field(
         ..., description="Hubbard interaction in orbital basis"
     )
-    delta: NDArray[Shape["1"], np.complex64] | None = None
+    delta: NDArray[Shape["1"], np.complex128] | None = None
 
     _check_positive_values = field_validator("hopping", "lattice_constant")(check_positive_values)
 
@@ -153,7 +153,7 @@ class TwoBandParameters(HamiltonianParameters):
     hubbard_int_orbital_basis: NDArray[Shape["2"], np.float64] = Field(
         ..., description="Hubbard interaction in orbital basis"
     )
-    delta: NDArray[Shape["2"], np.complex64] | None = None
+    delta: NDArray[Shape["2"], np.complexfloating] | None = None
 
     _check_positive_values = field_validator("hopping", "lattice_constant")(check_positive_values)
 
@@ -172,7 +172,7 @@ class ThreeBandParameters(HamiltonianParameters):
     hubbard_int_orbital_basis: NDArray[Shape["3"], np.float64] = Field(
         ..., description="Hubbard interaction in orbital basis"
     )
-    delta: NDArray[Shape["3"], np.complex64] | None = None
+    delta: NDArray[Shape["3"], np.complex128] | None = None
 
     _check_positive_values = field_validator("hopping", "lattice_constant")(check_positive_values)
 

quant_met/parameters/main.py

@@ -39,6 +39,7 @@ class Control(BaseModel):
     conv_treshold: float
     max_iter: int = 1000
     n_temp_points: int = 50
+    calculate_additional: bool = False
 
 
 class KPoints(BaseModel):

quant_met/plotting/__init__.py

@@ -28,8 +28,8 @@ from .plotting import (
 )
 
 __all__ = [
-    "scatter_into_bz",
     "format_plot",
     "plot_bandstructure",
     "plot_superfluid_weight",
+    "scatter_into_bz",
 ]

quant_met/plotting/plotting.py

@@ -36,9 +36,9 @@ def format_plot(
 
 
 def scatter_into_bz(
-    bz_corners: list[npt.NDArray[np.float64]],
-    k_points: npt.NDArray[np.float64],
-    data: npt.NDArray[np.float64] | None = None,
+    bz_corners: list[npt.NDArray[np.floating]],
+    k_points: npt.NDArray[np.floating],
+    data: npt.NDArray[np.floating] | None = None,
     data_label: str | None = None,
     fig_in: matplotlib.figure.Figure | None = None,
     ax_in: matplotlib.axes.Axes | None = None,
@@ -89,11 +89,11 @@ def scatter_into_bz(
 
 
 def plot_bandstructure(
-    bands: npt.NDArray[np.float64],
-    k_point_list: npt.NDArray[np.float64],
+    bands: npt.NDArray[np.floating],
+    k_point_list: npt.NDArray[np.floating],
     ticks: list[float],
     labels: list[str],
-    overlaps: npt.NDArray[np.float64] | None = None,
+    overlaps: npt.NDArray[np.floating] | None = None,
     overlap_labels: list[str] | None = None,
     fig_in: matplotlib.figure.Figure | None = None,
     ax_in: matplotlib.axes.Axes | None = None,
@@ -167,9 +167,9 @@ def plot_bandstructure(
 
 
 def plot_superfluid_weight(
-    x_data: npt.NDArray[np.float64],
-    sf_weight_geom: npt.NDArray[np.float64],
-    sf_weight_conv: npt.NDArray[np.float64],
+    x_data: npt.NDArray[np.floating],
+    sf_weight_geom: npt.NDArray[np.floating],
+    sf_weight_conv: npt.NDArray[np.floating],
     fig_in: matplotlib.figure.Figure | None = None,
     ax_in: matplotlib.axes.Axes | None = None,
 ) -> matplotlib.figure.Figure:

quant_met/utils.py

@@ -19,15 +19,16 @@ Functions
 
 import numpy as np
 import numpy.typing as npt
+from numba import jit
 
 
 def generate_uniform_grid(
     ncols: int,
     nrows: int,
-    corner_1: npt.NDArray[np.float64],
-    corner_2: npt.NDArray[np.float64],
-    origin: npt.NDArray[np.float64],
-) -> npt.NDArray[np.float64]:
+    corner_1: npt.NDArray[np.floating],
+    corner_2: npt.NDArray[np.floating],
+    origin: npt.NDArray[np.floating],
+) -> npt.NDArray[np.floating]:
     """
     Generate a uniform grid of points in 2D.
 
@@ -57,7 +58,7 @@ def generate_uniform_grid(
         msg = "Vectors to the corners cannot be zero."
         raise ValueError(msg)
 
-    grid: npt.NDArray[np.float64] = np.concatenate(
+    grid: npt.NDArray[np.floating] = np.concatenate(
         [
             np.linspace(
                 origin[0] + i / (nrows - 1) * corner_2,
@@ -69,3 +70,24 @@ def generate_uniform_grid(
     )
 
     return grid
+
+
+@jit
+def fermi_dirac(energy: npt.NDArray[np.floating], beta: float) -> npt.NDArray[np.floating]:
+    """Fermi dirac distribution.
+
+    Parameters
+    ----------
+    energy
+    beta
+
+    Returns
+    -------
+    fermi_dirac
+
+    """
+    return (
+        np.where(energy < 0, 1.0, 0.0)
+        if np.isinf(beta)
+        else np.asarray(1 / (1 + np.exp(beta * energy)))
+    )

{quant_met-0.0.16.dist-info → quant_met-0.0.18.dist-info}/METADATA

@@ -1,24 +1,20 @@
-Metadata-Version: 2.1
+Metadata-Version: 2.4
 Name: quant-met
-Version: 0.0.16
+Version: 0.0.18
 Summary: Calculate superconductivity in flat-band systems.
-Home-page: https://quant-met.tjarksievers.de
-Author: Tjark Sievers
-Author-email: tsievers@physnet.uni-hamburg.de
-Requires-Python: >=3.11,<3.13
-Classifier: Programming Language :: Python :: 3
-Classifier: Programming Language :: Python :: 3.11
-Classifier: Programming Language :: Python :: 3.12
-Requires-Dist: click (>=8.1.7,<9.0.0)
-Requires-Dist: h5py (>=3.12.1,<4.0.0)
-Requires-Dist: matplotlib (>=3.9.2,<4.0.0)
-Requires-Dist: numpy (>=2.1.2,<3.0.0)
-Requires-Dist: numpydantic (>=1.6.4,<2.0.0)
-Requires-Dist: pandas (>=2.2.3,<3.0.0)
-Requires-Dist: pydantic (>=2.9.2,<3.0.0)
-Requires-Dist: scipy (>=1.14.1,<2.0.0)
-Requires-Dist: tables (>=3.10.1,<4.0.0)
-Project-URL: Repository, https://github.com/Ruberhauptmann/quant-met
+Author-email: Tjark Sievers <tsievers@physnet.uni-hamburg.de>
+License-File: LICENSE.txt
+Requires-Python: >=3.11
+Requires-Dist: click>=8.1.8
+Requires-Dist: h5py>=3.12.1
+Requires-Dist: matplotlib>=3.10.0
+Requires-Dist: numba>=0.60.0
+Requires-Dist: numpy<2.1
+Requires-Dist: numpydantic>=1.6.6
+Requires-Dist: pandas>=2.2.3
+Requires-Dist: pydantic>=2.10.4
+Requires-Dist: scipy>=1.15.0
+Requires-Dist: tables>=3.10.2
 Description-Content-Type: text/markdown
 
 <!--
@@ -29,6 +25,7 @@ SPDX-License-Identifier: MIT
 
 # quant-met
 
+[![DOI](https://zenodo.org/badge/800628635.svg)](https://zenodo.org/badge/latestdoi/800628635)
 [![Test](https://github.com/Ruberhauptmann/quant-met/actions/workflows/unit_tests.yml/badge.svg)](https://github.com/Ruberhauptmann/quant-met/actions/workflows/unit_tests.yml)
 [![Coverage Status](https://coveralls.io/repos/github/Ruberhauptmann/quant-met/badge.svg?branch=main)](https://coveralls.io/github/Ruberhauptmann/quant-met?branch=main)
 [![PyPI - Python Version](https://img.shields.io/pypi/pyversions/quant-met)](https://pypi.org/project/quant-met/)
@@ -36,13 +33,14 @@ SPDX-License-Identifier: MIT
 
 quant-met is a python package to treat superconductivity in flat-band systems.
 
+More information:
 - Documentation: [quant-met.tjarksievers.de](https://quant-met.tjarksievers.de)
-- user guide see [documentation](https://quant-met.tjarksievers.de/en/latest/examples.html).
+- [User guide](https://quant-met.tjarksievers.de/en/latest/user_guide.html)
+
 
 ## Contributing
 
 This is a personal project, very geared to the work I did in my master's thesis.
-If someone is using this and experiencing bugs or want the software extended, feel free to open an issue!
-
-If you want to contribute, see [documentation](https://quant-met.tjarksievers.de/en/latest/examples.html).
+If someone is using this and experiencing bugs or want the software extended, feel free to open an [issue](https://github.com/Ruberhauptmann/quant-met/issues/new/choose)!
 
+If you want to contribute, see [documentation](https://quant-met.tjarksievers.de/en/latest/development.html).

quant_met-0.0.18.dist-info/RECORD

@@ -0,0 +1,34 @@
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+quant_met/utils.py,sha256=J3kCbKg0tPEoGJExX04QwifHn4ch482J8IcmRQxIfP4,2067
+quant_met/cli/__init__.py,sha256=nGFXhK8zWyEKQtsQTyJWfEOLFOHTCjZnfEcrVb2dARc,254
+quant_met/cli/_utils.py,sha256=n_aP8_4sZXgPwBxngDcKozfdgYJL6VTwOn9qFLKrnzY,941
+quant_met/cli/crit_temp.py,sha256=t9sPZKORl6dpa1UNAOMH2gDmeQxf80iFH7p_L3FI5q8,2027
+quant_met/cli/main.py,sha256=lVAPGPUZtzyX6QKPEFYyDKFWYhQ30dMXjOEq5VdTa7I,1871
+quant_met/cli/scf.py,sha256=3_rwtQHwypFjAwjrsO2r2sqjJKpNiDLAj6svU52CCcU,2613
+quant_met/geometry/__init__.py,sha256=2N8l0-2-PhEOQxaUO7e8Dqy5oaxt2y9343XENDTCGPE,592
+quant_met/geometry/base_lattice.py,sha256=OJNDMyzJB-0hK1BLgF-SV4jUYfOSUksIv1XG1bH-zyY,2649
+quant_met/geometry/bz_path.py,sha256=vwN5RxyrgFkHTSqm_6cWuOigICgxa-FX5NZ7SkgKScw,2503
+quant_met/geometry/graphene.py,sha256=ZLE55wV1E-jRCkGxW66pca2y5VWaNtMmXiXi-HB6bgs,1627
+quant_met/geometry/square.py,sha256=17XZH79lK9TeeDtXiBBa8rd2d9kv5yt2S9F6te0YZPU,1565
+quant_met/mean_field/__init__.py,sha256=dO7ATRQyes96tr2WMvmPPqr_S90WL2RCHquRdXWaSjU,662
+quant_met/mean_field/_utils.py,sha256=7hr0DDSdIqjft5Jjluvbw_HGoNLWgYJTxyuPJJvhBnc,356
+quant_met/mean_field/quantum_metric.py,sha256=aiZLdUsWmoBLunv-aJr_BCQVfhD7t0GHbeYrT60s3cI,2583
+quant_met/mean_field/search_crit_temp.py,sha256=Lp6iJEyXnLwfZQ3549J3s9HYQo6OgakzT_FJRRZ5oM0,8661
+quant_met/mean_field/self_consistency.py,sha256=YY_zhCurxOK3RLkK-Hglfkx33uhsvqpoAKOP4FuPdfo,3371
+quant_met/mean_field/hamiltonians/__init__.py,sha256=r-8TaLqRnRbAro-TMIyxzCCZHwVqyKrausODpQJb2tw,681
+quant_met/mean_field/hamiltonians/base_hamiltonian.py,sha256=2UlTckCHyBDujzKQk-GvWXJSqUE_2WEZ9D-m6W0TWuY,26880
+quant_met/mean_field/hamiltonians/dressed_graphene.py,sha256=Q5LiA3rgK88ZZV1V7JflgjlkEpve7uNZFzFCIoQND-w,4048
+quant_met/mean_field/hamiltonians/graphene.py,sha256=sa3H8jVq9Fkc_qcz5gJTCMgN8YD3N18JWLRBImhLyxo,3276
+quant_met/mean_field/hamiltonians/one_band_tight_binding.py,sha256=DZXaD95yWv1VZSMqgxkqEZv3PGihNGy7PuqupnN75ew,2512
+quant_met/mean_field/hamiltonians/three_band_tight_binding.py,sha256=g8XNImzCn_6CRYKDYI6sy3q6_TBYUDxDmQZ-AqenXTE,3295
+quant_met/mean_field/hamiltonians/two_band_tight_binding.py,sha256=DMySc94YQ1M2nPIKZjfc-Ax5Ysf7inwSuVKyd6dfqr0,2865
+quant_met/parameters/__init__.py,sha256=9yu7i0J-O3QxSicnLEh2ci7FSMwB8bPW0pbl8KWHJUs,1007
+quant_met/parameters/hamiltonians.py,sha256=PiWVV-miCdT4Z9GWloDVvIU_1QpRHHV-zVOga7DWwCw,6046
+quant_met/parameters/main.py,sha256=bHf3Ixjg7nkr_kDihZUXC1egmXo7LecxmVsqBS-eOAA,2165
+quant_met/plotting/__init__.py,sha256=VypHrLAGmCiQaQggGh5Cs4EF4YAjRiETddf_7mOX9MQ,544
+quant_met/plotting/plotting.py,sha256=4ZYclWJH3hlE8S7b7bL_JJlP3CKaCGcVzdIsqolCAaM,6592
+quant_met-0.0.18.dist-info/METADATA,sha256=t4UafmOjpoGKF8s6dqo3J_kKQA2kZhtSZiZaNaFAgHs,1949
+quant_met-0.0.18.dist-info/WHEEL,sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ,87
+quant_met-0.0.18.dist-info/entry_points.txt,sha256=1Al3Kt-cMeQxwMp84ZSNL0qFwlbOVBu1o8A19MH8lEU,48
+quant_met-0.0.18.dist-info/licenses/LICENSE.txt,sha256=QO_duPQihSJlaxSLxPAXo52X3esROP5wBkhxqBd1Z4E,1104
+quant_met-0.0.18.dist-info/RECORD,,

{quant_met-0.0.16.dist-info → quant_met-0.0.18.dist-info}/WHEEL

@@ -1,4 +1,4 @@
 Wheel-Version: 1.0
-Generator: poetry-core 1.9.1
+Generator: hatchling 1.27.0
 Root-Is-Purelib: true
 Tag: py3-none-any

quant_met-0.0.18.dist-info/entry_points.txt

@@ -0,0 +1,2 @@
+[console_scripts]
+quant-met = quant_met.cli:cli

quant_met/mean_field/superfluid_weight.py

@@ -1,123 +0,0 @@
-# SPDX-FileCopyrightText: 2024 Tjark Sievers
-#
-# SPDX-License-Identifier: MIT
-
-"""Functions to calculate the superfluid weight."""
-
-import numpy as np
-import numpy.typing as npt
-
-from quant_met.mean_field.hamiltonians.base_hamiltonian import BaseHamiltonian
-from quant_met.parameters import GenericParameters
-
-
-def superfluid_weight(
-    h: BaseHamiltonian[GenericParameters],
-    k: npt.NDArray[np.float64],
-) -> tuple[npt.NDArray[np.complex64], npt.NDArray[np.complex64]]:
-    """Calculate the superfluid weight.
-
-    Parameters
-    ----------
-    h : :class:`~quant_met.mean_field.Hamiltonian`
-        Hamiltonian.
-    k : :class:`numpy.ndarray`
-        List of k points.
-
-    Returns
-    -------
-    :class:`numpy.ndarray`
-        Conventional contribution to the superfluid weight.
-    :class:`numpy.ndarray`
-        Geometric contribution to the superfluid weight.
-
-    """
-    s_weight_conv = np.zeros(shape=(2, 2), dtype=np.complex64)
-    s_weight_geom = np.zeros(shape=(2, 2), dtype=np.complex64)
-
-    for i, direction_1 in enumerate(["x", "y"]):
-        for j, direction_2 in enumerate(["x", "y"]):
-            for k_point in k:
-                c_mnpq = _c_factor(h, k_point)
-                j_up = _current_operator(h, direction_1, k_point)
-                j_down = _current_operator(h, direction_2, -k_point)
-                for m in range(h.number_of_bands):
-                    for n in range(h.number_of_bands):
-                        for p in range(h.number_of_bands):
-                            for q in range(h.number_of_bands):
-                                s_weight = c_mnpq[m, n, p, q] * j_up[m, n] * j_down[q, p]
-                                if m == n and p == q:
-                                    s_weight_conv[i, j] += s_weight
-                                else:
-                                    s_weight_geom[i, j] += s_weight
-
-    return s_weight_conv, s_weight_geom
-
-
-def _current_operator(
-    h: BaseHamiltonian[GenericParameters], direction: str, k: npt.NDArray[np.float64]
-) -> npt.NDArray[np.complex64]:
-    j = np.zeros(shape=(h.number_of_bands, h.number_of_bands), dtype=np.complex64)
-
-    _, bloch = h.diagonalize_nonint(k=k)
-
-    for m in range(h.number_of_bands):
-        for n in range(h.number_of_bands):
-            j[m, n] = (
-                bloch[:, m].conjugate()
-                @ h.hamiltonian_derivative(direction=direction, k=k)
-                @ bloch[:, n]
-            )
-
-    return j
-
-
-def _c_factor(
-    h: BaseHamiltonian[GenericParameters], k: npt.NDArray[np.float64]
-) -> npt.NDArray[np.complex64]:
-    bdg_energies, bdg_functions = h.diagonalize_bdg(k)
-    c_mnpq = np.zeros(
-        shape=(
-            h.number_of_bands,
-            h.number_of_bands,
-            h.number_of_bands,
-            h.number_of_bands,
-        ),
-        dtype=np.complex64,
-    )
-
-    for m in range(h.number_of_bands):
-        for n in range(h.number_of_bands):
-            for p in range(h.number_of_bands):
-                for q in range(h.number_of_bands):
-                    c_tmp: float = 0
-                    for i in range(2 * h.number_of_bands):
-                        for j in range(2 * h.number_of_bands):
-                            if bdg_energies[i] != bdg_energies[j]:
-                                c_tmp += (
-                                    _fermi_dirac(bdg_energies[i]) - _fermi_dirac(bdg_energies[j])
-                                ) / (bdg_energies[j] - bdg_energies[i])
-                            else:
-                                c_tmp -= _fermi_dirac_derivative()
-
-                            c_tmp *= (
-                                bdg_functions[i, m].conjugate()
-                                * bdg_functions[j, n]
-                                * bdg_functions[j, p].conjugate()
-                                * bdg_functions[i, q].conjugate()
-                            )
-
-                    c_mnpq[m, n, p, q] = 2 * c_tmp
-
-    return c_mnpq
-
-
-def _fermi_dirac_derivative() -> float:
-    return 0
-
-
-def _fermi_dirac(energy: np.float64) -> np.float64:
-    if energy > 0:
-        return np.float64(0)
-
-    return np.float64(1)

quant_met-0.0.16.dist-info/LICENSES/MIT.txt

@@ -1,9 +0,0 @@
-MIT License
-
-Copyright (c) 2024-present Tjark <tsievers@physnet.uni-hamburg.de>
-
-Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:
-
-The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.
-
-THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.