quant-met 0.0.2__py3-none-any.whl → 0.0.4__py3-none-any.whl

quant_met/hamiltonians/_utils.py

@@ -1,10 +0,0 @@
-import numpy as np
-
-
-def _check_valid_float(float_in: float, parameter_name: str) -> float:
-    if np.isinf(float_in):
-        raise ValueError(f"{parameter_name} must not be Infinity")
-    elif np.isnan(float_in):
-        raise ValueError(f"{parameter_name} must not be NaN")
-    else:
-        return float_in

quant_met/plotting/_plotting.py

@@ -1,156 +0,0 @@
-from typing import Any, List, Tuple
-
-import matplotlib.axes
-import matplotlib.colors
-import matplotlib.figure
-import matplotlib.pyplot as plt
-import numpy as np
-import numpy.typing as npt
-from matplotlib.collections import LineCollection
-from numpy import dtype, generic, ndarray
-
-
-def scatter_into_bz(
-    bz_corners: List[npt.NDArray[np.float64]],
-    k_points: npt.NDArray[np.float64],
-    data: npt.NDArray[np.float64] | None = None,
-    data_label: str | None = None,
-    fig_in: matplotlib.figure.Figure | None = None,
-    ax_in: matplotlib.axes.Axes | None = None,
-) -> matplotlib.figure.Figure:
-    if fig_in is None or ax_in is None:
-        fig, ax = plt.subplots()
-    else:
-        fig, ax = fig_in, ax_in
-
-    if data is not None:
-        scatter = ax.scatter(*zip(*k_points), c=data, cmap="viridis")
-        fig.colorbar(scatter, ax=ax, fraction=0.046, pad=0.04, label=data_label)
-    else:
-        ax.scatter(*zip(*k_points))
-
-    ax.scatter(*zip(*bz_corners), alpha=0.8)
-    ax.set_aspect("equal", adjustable="box")
-    ax.set_xlabel(r"$k_x\ [1/a_0]$")
-    ax.set_ylabel(r"$k_y\ [1/a_0]$")
-
-    return fig
-
-
-def plot_bandstructure(
-    bands: npt.NDArray[np.float64],
-    k_point_list: npt.NDArray[np.float64],
-    ticks: List[float],
-    labels: List[str],
-    overlaps: npt.NDArray[np.float64] | None = None,
-    overlap_labels: List[str] | None = None,
-    fig_in: matplotlib.figure.Figure | None = None,
-    ax_in: matplotlib.axes.Axes | None = None,
-) -> matplotlib.figure.Figure:
-    if fig_in is None or ax_in is None:
-        fig, ax = plt.subplots()
-    else:
-        fig, ax = fig_in, ax_in
-
-    ax.axhline(y=0, alpha=0.7, linestyle="--", color="black")
-
-    if overlaps is None:
-        for band in bands:
-            ax.plot(k_point_list, band)
-    else:
-        line = LineCollection(segments=[np.array([(0, 0)])])
-        for band, wx in zip(bands, overlaps):
-            points = np.array([k_point_list, band]).T.reshape(-1, 1, 2)
-            segments = np.concatenate([points[:-1], points[1:]], axis=1)
-
-            norm = matplotlib.colors.Normalize(-1, 1)
-            lc = LineCollection(segments, cmap="seismic", norm=norm)
-            lc.set_array(wx)
-            lc.set_linewidth(2)
-            line = ax.add_collection(lc)
-
-        colorbar = fig.colorbar(line, fraction=0.046, pad=0.04, ax=ax)
-        color_ticks = [-1, 1]
-        colorbar.set_ticks(ticks=color_ticks, labels=overlap_labels)
-
-    ax.set_ylim(
-        top=np.max(bands) + 0.1 * np.max(bands),
-        bottom=np.min(bands) - 0.1 * np.abs(np.min(bands)),
-    )
-    ax.set_box_aspect(1)
-    ax.set_xticks(ticks, labels)
-    ax.set_ylabel(r"$E\ [t]$")
-    ax.set_facecolor("lightgray")
-    ax.grid(visible=True)
-    ax.tick_params(
-        axis="both", direction="in", bottom=True, top=True, left=True, right=True
-    )
-
-    return fig
-
-
-def _generate_part_of_path(
-    p_0: npt.NDArray[np.float64],
-    p_1: npt.NDArray[np.float64],
-    n: int,
-    length_whole_path: int,
-) -> npt.NDArray[np.float64]:
-    distance = np.linalg.norm(p_1 - p_0)
-    number_of_points = int(n * distance / length_whole_path) + 1
-
-    k_space_path = np.vstack(
-        [
-            np.linspace(p_0[0], p_1[0], number_of_points),
-            np.linspace(p_0[1], p_1[1], number_of_points),
-        ]
-    ).T[:-1]
-
-    return k_space_path
-
-
-def generate_bz_path(
-    points: List[Tuple[npt.NDArray[np.float64], str]], number_of_points: int = 1000
-) -> tuple[
-    ndarray[Any, dtype[generic | generic | Any]],
-    ndarray[Any, dtype[generic | generic | Any]],
-    list[int | Any],
-    list[str],
-]:
-    n = number_of_points
-
-    cycle = [
-        np.linalg.norm(points[i][0] - points[i + 1][0]) for i in range(len(points) - 1)
-    ]
-    cycle.append(np.linalg.norm(points[-1][0] - points[0][0]))
-
-    length_whole_path = np.sum(np.array([cycle]))
-
-    ticks = [0]
-    for i in range(0, len(cycle) - 1):
-        ticks.append(np.sum(cycle[0 : i + 1]) / length_whole_path)
-    ticks.append(1)
-    labels = [rf"${points[i][1]}$" for i in range(len(points))]
-    labels.append(rf"${points[0][1]}$")
-
-    whole_path_plot = np.concatenate(
-        [
-            np.linspace(
-                ticks[i],
-                ticks[i + 1],
-                num=int(n * cycle[i] / length_whole_path),
-                endpoint=False,
-            )
-            for i in range(0, len(ticks) - 1)
-        ]
-    )
-
-    points_path = [
-        _generate_part_of_path(points[i][0], points[i + 1][0], n, length_whole_path)
-        for i in range(0, len(points) - 1)
-    ]
-    points_path.append(
-        _generate_part_of_path(points[-1][0], points[0][0], n, length_whole_path)
-    )
-    whole_path = np.concatenate(points_path)
-
-    return whole_path, whole_path_plot, ticks, labels

quant_met-0.0.2.dist-info/RECORD

@@ -1,15 +0,0 @@
-quant_met/__init__.py,sha256=Exc923N_e87XwJA_lO22UiG4WQy7dnmPmnuLiHyamRk,149
-quant_met/hamiltonians/__init__.py,sha256=PahN7ppBysli0rKnPLhTBMVaKC_nlD2mJfTvzfrrrRs,427
-quant_met/hamiltonians/_base_hamiltonian.py,sha256=N-8Pik-TByDFeaHUH_X442A6mBOaQWlRcN8UdywfFzE,5857
-quant_met/hamiltonians/_eg_x.py,sha256=QmVdrO26qMPp2AQA3ClHb1cBGHAx2BVjfF22WcpZMHw,3643
-quant_met/hamiltonians/_free_energy.py,sha256=Y7OFL-PFTZsrC4tLY5jegwVhnUeaQwLFE1w_8U9hoPs,1065
-quant_met/hamiltonians/_graphene.py,sha256=p8bRCcNsKguz2B3hbbtp-wGGAQtj6MDIZSwIQoY7Yug,2778
-quant_met/hamiltonians/_superfluid_weight.py,sha256=_YUJ5yE1x4JswuY8gydo5iN7LS0mP2Aeikhhsjy7CeQ,4260
-quant_met/hamiltonians/_utils.py,sha256=w2fMk6APN7kmSF6x4mVk-8CWKul-Ut01oBzQK0V6DbA,311
-quant_met/plotting/__init__.py,sha256=b-r6EpFZdc0aX0OrN_SXTo84ojjV8P_htlnnsmVkQWI,165
-quant_met/plotting/_plotting.py,sha256=YfJB6G4E_htnpBh-eogs1ieKNIXK7Hw0S4_qX9mGmj4,4737
-quant_met/utils.py,sha256=wLW7Q-_RbcKBdxCOJqIW_5BDuReE6leRtagABJvlm6U,821
-quant_met-0.0.2.dist-info/LICENSE.txt,sha256=QO_duPQihSJlaxSLxPAXo52X3esROP5wBkhxqBd1Z4E,1104
-quant_met-0.0.2.dist-info/METADATA,sha256=c_Y95udJ7geJwTpY4Yb4FCwOs2mb718nzlut_5YAmnM,2602
-quant_met-0.0.2.dist-info/WHEEL,sha256=sP946D7jFCHeNz5Iq4fL4Lu-PrWrFsgfLXbbkciIZwg,88
-quant_met-0.0.2.dist-info/RECORD,,