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Changelog of galpynostatic

v0.5.12 (2024-10-29)

  • Fixed errors in ProfileFitting.

v0.5.11 (2024-10-29)

  • Added more functions to ProfileFitting.

v0.5.10 (2024-10-29)

  • Fixed doc format.

v0.5.9 (2024-10-29)

  • Fixed errors in ProfileFitting.

v0.5.8 (2024-10-29)

  • Added cut potential to ProfileFitting.

v0.5.7 (2024-10-21)

  • Fixing simulation.ProfileFitting due to the previous versions changes.

v0.5.6 (2024-10-21)

  • Missing changes simulation.ProfileFitting due to the previous versions changes.

v0.5.5 (2024-09-24)

  • Missing changes in others galpynostatic modules due to the previous versions changes in the geometry factor in the Xi equation.

v0.5.4 (2024-09-19)

  • Changes in the geometry factor in the Xi equation.

v0.5.3 (2024-09-17)

  • Changes in the geometry factor in the Xi equation.

v0.5.2 (2024-08-24)

  • New Python version specification required to use galpynostatic.

v0.5.1 (2024-08-12)

  • Fix the compilation of the OpenMP functions in lib/map.cpp by adding the -lgomp flag in the setup.py.

v0.5.0 (2024-07-15)

  • Add new module galpynostatic.simulation that calulates galvanostatic maps from Frumkin or experimental isotherms, simulates isotherms at different Crates and fits equilibrium and non-equilibrium isotherms to obtain the diffusion coefficients and the kinetic rate constant.
  • Add the datasets.params submodule with typical densities and specific capacities of lithium-ion battery electrode materials required for simulations.

v0.4.1 (2024-03-21)

  • In the bmxfc metric, the argument minutes was changed to c_rate, like in the make_prediction module functions.

v0.4.0 (2024-03-20)

  • Change the name of the metric umbem (thesis version) to bmxfc (paper version).

v0.3.3 (2024-02-05)

  • Fix a bug in the shape of the return of GetDischargeCapacities in preprocessing module.
  • Change the if/else condition in the datasets submodule by a try/except block.

v0.3.2 (2024-01-30)

  • base and utils modules are now tested directly.
  • Better docs of datasets submodule and the three functions replaced in only one. For each assert now there is a test.

v0.3.1 (2024-01-29)

  • Include the optimal C-rate uncertainty calculation like in particle size.
  • Changed the inner workings of functions in the make_prediction module to use GalvanostaticRegressor model methods instead of geometric reordering to find the optimal point.
  • Add **kwargs to scipy.optimize.newton in make_prediction module.

v0.3.0 (2024-01-25)

  • Add a new function in the make_prediction module to predict the optimal C-rate to reach a desired SOC.
  • Explicitly use Newton optimization method in make_prediction module.
  • Change the return of the transform GetDischargeCapacities in preprocessing module to the shape required for the model fitting.
  • Improved self-consistency and grammar of documentation.

v0.2.3 (2023-12-28)

  • Create the base module with the MapSpline class.
  • Change the project description.

v0.2.2 (2023-12-27)

  • Change the name of the bmx_fc metric to umbem, which is the name of the metric in the cited PhD thesis.
  • Replace the test_metric to use pytest.mark.parametrize and have a test for each value insted of the dataframe all togheter.

v0.2.1 (2023-12-26)

  • Allow the modification of C-rate with minutes parameter in bmx_fc of metric module.
  • Citation of theoretical framework in CITATION.bib file.

v0.2.0 (2023-12-12)

  • An implementation of a new module with two metrics for benchmarking an extreme fast-charging of battery electrode materials.
  • Fixed test errors in make_prediction module due to uncertaintes calculations.

v0.1.1 (2023-09-25)

  • Fixed the citation link, the BibTeX file and the doi.
  • The test of the plots with Python3.9+ instead of Python3.8
  • Fixed the uncertainties calculations.

v0.1.0 (2023-07-27)

This is the first Python object-oriented version of galpynostatic.

Features

  • A galvanostatic regressor to fit maximum State-of-Charge (SOC) values versus C-rates experimental data with the physics-based heuristic model implemented here.
  • Visualization in different formats through a plotter.
  • Make predictions of the optimal particle size for the fifteen-minute charging electrode material.
  • A preprocessing tool to obtain discharge capacities from galvanostatic profiles, useful to define the maximum SOC values.
  • Surface datasets of the continuous computational physics previous model for different single-particle geometries.

Software quality assurance

  • Runs on Ubuntu with Python 3.8+.
  • Documentation available in readthedocs with installation guide, tutorials and API reference.
  • Multiple unit tests.
  • 100% coverage.
  • PEP8 code style assured with flake8 and extensions.
  • CI/CD on GitHub Actions.
  • MIT LICENSE, encouraging its use in both academic and commercial settings.
  • PyPI package distribution.