quant-met 0.0.9__py3-none-any.whl → 0.0.11__py3-none-any.whl

quant_met/parameters/hamiltonians.py

@@ -2,7 +2,22 @@
 #
 # SPDX-License-Identifier: MIT
 
-"""Pydantic models to hold parameters for Hamiltonians."""
+"""
+Hamiltonian Parameter Classes
+=============================
+
+Classes holding the configuration for the Hamiltonians.
+
+.. autosummary::
+   :toctree: generated/parameters/
+
+    HamiltonianParameters
+    DressedGrapheneParameters
+    GrapheneParameters
+    OneBandParameters
+    TwobandParameters
+    ThreeBandParameters
+"""  # noqa: D205, D400
 
 from typing import Literal, TypeVar
 
@@ -34,10 +49,22 @@ def validate_float(value: float, info: ValidationInfo) -> float:
 
 
 class HamiltonianParameters(BaseModel):
-    """Base class for Hamiltonian parameters."""
+    """Base class for Hamiltonian parameters.
+
+    Attributes
+    ----------
+    name : str
+        The name of the Hamiltonian model (e.g., "Graphene", "DressedGraphene").
+    beta : float
+        The inverse temperature; default is set to infinity.
+    q : :class:`numpy.ndarray` | None
+        An optional numpy array representing the momentum of Cooper pairs.
+    hubbard_int_orbital_basis : :class:`numpy.ndarray`
+        A numpy array representing the Hubbard interactions in the orbital basis.
+    """
 
     name: str
-    beta: float | None = Field(default=None, description="Inverse temperature")
+    beta: float = Field(default=np.inf, description="Inverse temperature")
     q: NDArray[Shape["2"], int | float] | None = Field(
         default=None, description="Momentum of Cooper pairs"
     )
@@ -47,7 +74,25 @@ class HamiltonianParameters(BaseModel):
 
 
 class DressedGrapheneParameters(HamiltonianParameters):
-    """Parameters for the dressed Graphene model."""
+    """Parameters for the Dressed Graphene model.
+
+    Attributes
+    ----------
+    hopping_gr : float
+        Hopping parameter in the graphene layer.
+    hopping_x : float
+        Hopping parameter at the impurity site.
+    hopping_x_gr_a : float
+        Hybridization parameter.
+    lattice_constant : float
+        The lattice constant of the model.
+    chemical_potential : float
+        The chemical potential.
+    hubbard_int_orbital_basis : npt.NDArray[np.float64]
+        Hubbard interaction in the orbital basis.
+    delta : npt.NDArray[np.complex64] | None
+        Initial value for gaps in orbital space.
+    """
 
     name: Literal["DressedGraphene"] = "DressedGraphene"
     hopping_gr: float = Field(..., description="Hopping in graphene")

quant_met/parameters/main.py

@@ -12,7 +12,20 @@ from .hamiltonians import DressedGrapheneParameters, GrapheneParameters, OneBand
 
 
 class Control(BaseModel):
-    """Control for the calculation."""
+    """Control for the calculation.
+
+    Attributes
+    ----------
+    calculation : str
+        Specifies the type of calculation to be performed.
+    prefix : str
+        A string used as a prefix for naming output files generated by the simulation.
+    outdir : :class:`pathlib.Path`
+        A path indicating the output directory where results will be saved.
+    conv_treshold : float
+        A float value representing the convergence threshold.
+        The calculation will stop when changes in the results drop below this threshold.
+    """
 
     calculation: str
     prefix: str
@@ -21,14 +34,33 @@ class Control(BaseModel):
 
 
 class KPoints(BaseModel):
-    """Control for k points."""
+    """Control for k points.
+
+    Attributes
+    ----------
+    nk1 : int
+        The number of k-points in the first dimension of the k-space grid.
+    nk2 : int
+        The number of k-points in the second dimension of the k-space grid.
+    """
 
     nk1: int
     nk2: int
 
 
 class Parameters(BaseModel):
-    """Class to hold the parameters for a calculation."""
+    """Class to hold the parameters for a calculation.
+
+    Attributes
+    ----------
+    control : Control
+        An instance of the `Control` class containing settings for the calculation.
+    model :
+        An instance of one of the Hamiltonian parameter classes, holding the specific parameters
+        of the selected Hamiltonian model.
+    k_points : KPoints
+        An instance of the `KPoints` class that specifies the number of k-points for the simulation.
+    """
 
     control: Control
     model: DressedGrapheneParameters | GrapheneParameters | OneBandParameters = Field(

quant_met/plotting/__init__.py

@@ -18,13 +18,11 @@ Functions
     scatter_into_bz
     plot_bandstructure
     plot_superfluid_weight
-    plot_quantum_metric
 """  # noqa: D205, D400
 
 from .plotting import (
     format_plot,
     plot_bandstructure,
-    plot_quantum_metric,
     plot_superfluid_weight,
     scatter_into_bz,
 )
@@ -34,5 +32,4 @@ __all__ = [
     "format_plot",
     "plot_bandstructure",
     "plot_superfluid_weight",
-    "plot_quantum_metric",
 ]

quant_met/plotting/plotting.py

@@ -212,37 +212,3 @@ def plot_superfluid_weight(
     ax.set_ylabel(r"$D_S\ [t]$")
 
     return fig
-
-
-def plot_quantum_metric(
-    x_data: npt.NDArray[np.float64],
-    quantum_metric: npt.NDArray[np.float64],
-    fig_in: matplotlib.figure.Figure | None = None,
-    ax_in: matplotlib.axes.Axes | None = None,
-) -> matplotlib.figure.Figure:
-    """Plot quantum metric against some parameter.
-
-    Parameters
-    ----------
-    x_data : :class:`numpy.ndarray`
-    quantum_metric : :class:`numpy.ndarray`
-    fig_in : :class:`matplotlib.figure.Figure`, optional
-    ax_in : :class:`matplotlib.axes.Axes`, optional
-
-    Returns
-    -------
-    :obj:`matplotlib.figure.Figure`
-        Figure with the data plotted onto the axis.
-
-    """
-    if fig_in is None or ax_in is None:
-        fig, ax = plt.subplots()
-    else:
-        fig, ax = fig_in, ax_in
-
-    ax.plot(x_data, quantum_metric, "x--")
-
-    ax = format_plot(ax)
-    ax.set_ylabel(r"$M\ [t]$")
-
-    return fig

{quant_met-0.0.9.dist-info → quant_met-0.0.11.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: quant-met
-Version: 0.0.9
+Version: 0.0.11
 Summary: Calculate superconductivity in flat-band systems.
 Home-page: https://quant-met.tjarksievers.de
 Author: Tjark Sievers
@@ -33,51 +33,15 @@ SPDX-License-Identifier: MIT
 [![PyPI - Python Version](https://img.shields.io/pypi/pyversions/quant-met)](https://pypi.org/project/quant-met/)
 [![PyPI - Version](https://img.shields.io/pypi/v/quant-met)](https://pypi.org/project/quant-met/)
 
-This is a python package to treat superconductivity in flat-band systems.
+quant-met is a python package to treat superconductivity in flat-band systems.
 
-* Documentation: [quant-met.tjarksievers.de](https://quant-met.tjarksievers.de)
-
-## Installation
-
-The package can be installed via
-```shell
-pip install quant-met
-```
-
-## Usage
-
-For usage examples see [documentation](https://quant-met.tjarksievers.de/en/latest/examples.html).
+- Documentation: [quant-met.tjarksievers.de](https://quant-met.tjarksievers.de)
+- user guide see [documentation](https://quant-met.tjarksievers.de/en/latest/examples.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!
 
-### Developing
-
-You can also help develop this software further.
-This should help you get set up to start this.
-
-Prerequisites:
-* make
-* python
-* conda
-
-Set up the development environment:
-* clone the repository
-* run `make environment`
-* now activate the conda environment `conda activate quant-met-dev`
-
-You can manually run tests using for example `tox -e py312` (for running against python 3.12).
-After pushing your branch, all tests will also be run via Github Actions.
-
-Using `pre-commit`, automatic linting and formatting is done before every commit, which may cause the first commit to fail.
-A second try should then succeed.
-
-To fix the reuse copyright:
-```bash
-  reuse annotate --license=MIT --copyright="Tjark Sievers" --skip-unrecognised -r .
-```
-
-After you are done working on an issue and all tests are running successful, you can add a new piece of changelog via `scriv create` and make a pull request.
+If you want to contribute, see [documentation](https://quant-met.tjarksievers.de/en/latest/examples.html).
 

quant_met-0.0.11.dist-info/RECORD

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quant_met-0.0.9.dist-info/RECORD

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