llg3d 3.0.0__tar.gz → 3.1.1__tar.gz

{llg3d-3.0.0 → llg3d-3.1.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: llg3d
-Version: 3.0.0
+Version: 3.1.1
 Summary: A solver for the stochastic Landau-Lifshitz-Gilbert equation in 3D
 Author-email: Clémentine Courtès <clementine.courtes@math.unistra.fr>, Matthieu Boileau <matthieu.boileau@math.unistra.fr>
 Project-URL: Homepage, https://gitlab.math.unistra.fr/llg3d/llg3d

{llg3d-3.0.0 → llg3d-3.1.1}/pyproject.toml

@@ -76,11 +76,9 @@ doc = [
     "sphinx-design",
     "myst-parser",
     "furo",
-    "nbsphinx",
     "sphinx-copybutton",
     "sphinx-autobuild",
     "sphinx-prompt",
-    "sphinx-last-updated-by-git",
     "sphinxcontrib-programoutput",
     "sphinxcontrib-bibtex",
     "ipython",

{llg3d-3.0.0 → llg3d-3.1.1}/src/llg3d/__init__.py

@@ -1,4 +1,4 @@
 """Main llg3d package."""
 
-__version__ = "3.0.0"
+__version__ = "3.1.1"
 __all__ = ["__version__"]

{llg3d-3.0.0 → llg3d-3.1.1}/src/llg3d/post/extract.py

@@ -1,18 +1,23 @@
 """
 Extract scalar values from .npz result files.
 
-The extraction paths correspond to the hierarchical structure returned by
-`load_results()` (see io.py), where metrics and observables are JSON-decoded
-and stored under the 'results' key.
+Use the ``llg3d.extract`` command line tool to extract scalar values from .npz result
+files:
 
-Usage:
+.. command-output:: llg3d.extract --help
 
-.. code-block:: sh
 
-    llg3d.extract run.npz params/np results/metrics/total_time
+Extract the total execution time from a ``run.npz`` file:
 
-This will extract the number of processes and total simulation time from the run.npz file.
-Paths are separated by '/' and navigate through nested dictionaries and object attributes.
+.. command-output:: llg3d.extract run.npz results/metrics/total_time
+    :cwd: ../execute
+
+
+Extract both the total execution time and the time per iteration:
+
+.. command-output:: llg3d.extract run.npz results/metrics/total_time \
+    results/metrics/time_per_ite
+    :cwd: ../execute
 """
 
 import argparse
@@ -49,8 +54,10 @@ def _navigate(value: object, levels: list[str]):
 
     return _navigate(next_value, levels[1:])
 
+
 ExtractedValue = float | int | str | bool | np.integer | np.floating
 
+
 def extract_values(npz_file: Path, *keys: str) -> list[ExtractedValue]:
     """
     Extract scalar values from a .npz file.

{llg3d-3.0.0 → llg3d-3.1.1}/src/llg3d/post/info.py

@@ -1,4 +1,18 @@
-"""Dump simulation results from a .npz file."""
+"""
+Dump simulation results from a .npz file.
+
+To browse the content of the ``run.npz`` file, use the ``llg3d.info`` command:
+
+.. command-output:: llg3d.info run.npz
+    :cwd: ../execute/
+
+The numpy arrays cans be previewed with more detailed information using the ``--verbose``
+option:
+
+.. command-output:: llg3d.info run.npz --verbose
+    :cwd: ../execute/
+
+"""
 
 import argparse
 import textwrap

{llg3d-3.0.0 → llg3d-3.1.1}/src/llg3d/post/m1_vs_T.py

@@ -1,4 +1,21 @@
-"""Plot the magnetization vs temperature and determine the Curie temperature."""
+"""
+Plot the magnetization vs temperature and determine the Curie temperature.
+
+Use the ``llg3d.m1_vs_T`` command line tool to plot the average magnetization versus
+temperature from multiple result files:
+
+.. command-output:: llg3d.m1_vs_T -h
+   :cwd: ../execute/temperatures
+
+When calling the tool on a selection of result files:
+
+.. command-output:: llg3d.m1_vs_T run_*.npz -i m1_vs_T.png
+   :cwd: ../execute/temperatures
+   :shell:
+
+.. image:: ../execute/temperatures/m1_vs_T.png
+   :alt: Magnetization versus temperature for multiple files
+"""
 
 from pathlib import Path
 
@@ -82,7 +99,7 @@ def main():  # pragma: no cover
     from .utils import get_cli_args
 
     args = get_cli_args(
-        description=__doc__,
+        description="Plot the magnetization vs temperature and determine the Curie temperature.",
         default_image_filepath=Path("m1_vs_T.png"),
     )
 

{llg3d-3.0.0 → llg3d-3.1.1}/src/llg3d/post/m1_vs_time.py

@@ -1,4 +1,29 @@
-"""Plot m1 vs time from one or more result files."""
+"""
+Plot m1 vs time from one or more result files.
+
+Use the ``llg3d.m1_vs_time`` command line tool to plot the average magnetization versus time from multiple result files:
+
+.. command-output:: llg3d.m1_vs_time -h
+   :cwd: ../execute/temperatures
+
+When calling the tool on a result files:
+
+.. command-output:: llg3d.m1_vs_time run_1100K.npz -i m1_vs_time.png
+   :cwd: ../execute/temperatures
+   :shell:
+
+.. image:: ../execute/temperatures/m1_vs_time.png
+   :alt: Magnetization versus time for a single file
+
+Now when calling the tool on a selection of result files:
+
+.. command-output:: llg3d.m1_vs_time run_*.npz -i m1_vs_time_multiple.png
+   :cwd: ../execute/temperatures
+   :shell:
+
+.. image:: ../execute/temperatures/m1_vs_time_multiple.png
+   :alt: Magnetization versus time for multiple files
+"""
 
 from pathlib import Path
 
@@ -45,7 +70,7 @@ def plot_m1_vs_time(
 def main():  # pragma: no cover
     """Parse CLI arguments and call the plot function."""
     args = get_cli_args(
-        description=__doc__,
+        description="Plot m1 vs time from one or more result files.",
         default_image_filepath=Path("m1_vs_time.png"),
     )
 

{llg3d-3.0.0 → llg3d-3.1.1}/src/llg3d/post/x_profiles.py

@@ -1,4 +1,24 @@
-"""Plot x-profiles of magnetization from a result file."""
+"""
+Plot x-profiles of magnetization from a result file.
+
+Use the ``llg3d.x_profiles`` command line tool to plot the x-profiles of magnetization
+from a result file:
+
+.. command-output:: llg3d.x_profiles -h
+   :cwd: ../execute/domain_wall
+
+See :doc:`here </execute/domain_wall/index>` for how to generate the ``run.npz`` file
+used in this example.
+
+When calling the tool on a result file:
+
+.. command-output:: llg3d.x_profiles run.npz -m 1 -t ::4 -i x_profiles_4.png
+   :cwd: ../execute/domain_wall
+   :shell:
+
+.. image:: ../execute/domain_wall/x_profiles_4.png
+   :alt: Longitudinal profiles of magnetization
+"""
 
 import argparse
 from pathlib import Path
@@ -128,7 +148,7 @@ def get_cli_args(
 def main():  # pragma: no cover
     """Parse CLI arguments and call the plot function."""
     args = get_cli_args(
-        description=__doc__,
+        description="Plot x-profiles of magnetization from a result file.",
         default_image_filepath=Path("x_profile.png"),
     )
 

{llg3d-3.0.0 → llg3d-3.1.1}/src/llg3d.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: llg3d
-Version: 3.0.0
+Version: 3.1.1
 Summary: A solver for the stochastic Landau-Lifshitz-Gilbert equation in 3D
 Author-email: Clémentine Courtès <clementine.courtes@math.unistra.fr>, Matthieu Boileau <matthieu.boileau@math.unistra.fr>
 Project-URL: Homepage, https://gitlab.math.unistra.fr/llg3d/llg3d