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Recent Releases of https://github.com/leseixas/blendpy

https://github.com/leseixas/blendpy - v25.3.46

What is new?

  • Include methods configurational_entropy, nearest_neighbor_correlation, kikuchi_entropy, and warren_cowley_parameter in LocalOrder class
  • Include unit test for these methods

- Python
Published by leseixas 11 months ago

https://github.com/leseixas/blendpy - v25.3.45

What is new?

  • Update the __init__ method to improve initialization behavior.
  • Refactor the get_ideal_configurational_entropy method in the Alloy class for improved clarity and performance.
  • Add the create_simplex_space and get_simplex_space methods to support multicomponent alloy configurations.

- Python
Published by leseixas 11 months ago

https://github.com/leseixas/blendpy - v25.3.44

What is new?

  • Add a get_ideal_configurational_entropy method to the Alloy class, generalized for multicomponent alloys.
  • Add a dependency on the mpltern package for generating ternary plots.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.43

What is new?

  • Enables the Alloy class to be initialized with an empty list for alloy_components.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.42

What is new?

  • Add the DSI model from pre-calculated data to README.md.
  • Include additional figures in README.md.
  • Update the Python requirements.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.41

What is new?

  • Add the optimize_nostress method to the DSIModel class to enable optimization without allowing cell variation.
  • Implement tests for the optimize_nostress method in the DSIModel class.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.40

What is new?

  • Add new method get_new_spinodal_decomposition in PhaseDiagram class.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.39

What is new?

  • Correct print functions for parallel calculations using ase.parallel.parprint as print

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.38

What is new?

  • Expand unit test for DSIModel class

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.37

What is new?

  • Include tests for PhaseDiagram class
  • Include dependency with tqdm package

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.36

What is new?

  • Expand unit test coverage for the Alloy class.
  • Correct dependency paths in the starter function.
  • Add a conftest.py file to remove log files for optimized testing.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.35

What is new?

  • Fix bug in init

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.34

What is new?

  • Relocate polymorph methods to the Alloy class for better encapsulation.
  • Increase unit test coverage for Alloy class methods.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.33

What is new?

  • Refine expression to incorporate the minimum dilution factor.
  • Allow the minimum dilution factor to be passed as an argument to the DSIModel class.
  • Expand unit test coverage for DSIModel methods.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.31

What is new?

  • Expand unit test coverage for additional methods in the DSIModel class
  • Enhance test documentation with clearer, more detailed comments.
  • Introduce a new starter function featuring customizable color settings.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.30

What is new?

  • New starter function in init.py
  • More unit tests

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.29

What is new?

  • Expand unit test coverage for DSIModel methods.
  • Enhance unit tests with additional explanatory comments.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.28

What is new?

  • Fix bug in _version.py

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.27

What is new?

  • Expand unit tests to cover additional Alloy class methods
  • Develop comprehensive unit tests for key DSIModel methods.
  • Introduce the __pyproject_version__ variable for version tracking.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.26

What is new?

  • Enhance metadata extraction during the initial blendpy import process.
  • Develop comprehensive unit tests for the Alloy class using pytest.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.25

What is new?

  • The PhaseDiagram class is now decoupled from the Alloy and DSIModel classes.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.24

What is new?

  • Created a new class, PhaseDiagram.
  • The methods gibbs_free_energy, get_spinodal_decomposition, and others have been moved to the PhaseDiagram class.
  • WARNING: The get_binodal_curve method is still not functioning properly.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.23

What is new?

  • Added the set_energy_matrix method to the DSIModel class. This update enables the calculation of diluting parameters and the enthalpy of mixing directly from the input data.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.22

What is new?

  • Using getpotentialenergy method in optimize.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.21

What is new?

  • Fix more bugs

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.20

What is new?

  • The optimize method's stdout now displays the energy of the final optimization step rather than the initial step, providing a clearer indication of convergence.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.19

What is new?

  • Fix bug in optimize method (DSIModel class).

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.18

What is new?

  • Fix bug in optimize method (in DSIModel class)

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.17

What is new?

  • Introduced a new banner displayed upon package initialization.
  • Added new attributes to the DSIModel class for storing the energy matrix and DSI matrix.
  • Increased stdout logging for enhanced user feedback.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.16

What is new?

  • Enhanced documentation in README.md
  • Expanded stdout logging for improved feedback
  • Updated DSI model class to support energy input reading

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.15

Change colors in initial banner. Method name in optimize.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.14

Version with new banner

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.13

Fix bug with doping_site

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.12

Include doping_site variable in DSIModel class

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.11

Include critical point for spinodal and binodal curves

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.10

Minor changes in stdout

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.9

Remove overcalculation of diluting parameters

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.8

Add more prints in stdout to debug

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.7

Fix bug with banner in dsi_model.py

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.6

Add license in files. Add github badge in README

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.5

Organizing data for examples, move banner to init and colorize it.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.4

Version with better README.md and notebook_readme.ipynb

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v.25.3.3

Correct version constant in dsi_model.py

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.2

Include _version.py file to solve the problem with circular import.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.1

Correct bug in init

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.3.0

Implement getbinodalcurve in DSIModel class. Write more docstrings. Move DSIModel class to dsi_model.py file.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.2.8

Alloy class content in alloy.py

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.2.7

README more detailed. Change alloybasis argument in Alloy class to alloycomponents.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.2.6

Include getconfigurationalentropy method and getspinodaldecomposition in DSIModel class

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.2.5

Add Polymorph class and getstructuralenergy_transition method in this class.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.2.4

Blendpy class now is called DSIModel class. Fix README.md and LICENSE.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.2.3

Fixing some bugs. Include logo in README.md.

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.2.2

Version with shields.io badges fixed

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.2.1

pypi.org release

- Python
Published by leseixas 12 months ago

https://github.com/leseixas/blendpy - v25.2.0

Initial release featuring the capability to calculate the enthalpy of mixing for alloys.

- Python
Published by leseixas 12 months ago