nook-iin - Nookiin v1.9.1-Project renamed to "Nookiin" in documentation

This release updates all internal references in the documentation to reflect the new standardized project name: Nookiin.

✨ Changes included:

• All instances of Nook-iin were replaced with Nookiin in:
  • README.md
  • User documentation and guides
  • Notebooks and example files
  • Code comments and headers where appropriate
• Adjusted naming in descriptions and command-line references for consistency.

📌 Note:

• The repository name on GitHub remains unchanged (Nook-iin) for continuity and backward compatibility.
• This change is cosmetic only and does not affect program functionality or structure.
• The internal renaming improves consistency, readability, and international accessibility.

No code-level modifications were introduced in this version.

- Python
Published by OssielAg 7 months ago

nook-iin - Nook’iin v1.9.0 – Diffraction Maps and Internal Enhancements

🌟 What's New in v1.9.0

This release introduces a major new feature for diffraction analysis and several internal improvements that enhance usability and scientific reproducibility.

🔬 New Feature: Diffraction Map Visualization

• plot_diffraction_map: A function to generate continuous diffraction intensity maps using Lorentzian or Gaussian distributions.
• Allows configuration of resolution, peak width, and plotting style.
• Useful for exploring Moiré patterns and structural interference in multilayer systems.

📘 Examples Added

• New example notebooks included:
  • examples/05_Ejemplo_Mapa_de_difracción.ipynb 🇲🇽
  • examples/05_Example_Diffraction_Map.ipynb 🇺🇸
• Showcases 2D systems with increasing structural complexity.

🛠 Improvements

• Better reciprocal space handling and peak summation.
• Improved modularity and internal documentation.
• Minor bug fixes in reciprocal lattice utilities.

📌 For full usage, check the updated examples and function docstring of plot_diffraction_map in System.py.

- Python
Published by OssielAg 8 months ago

nook-iin - Nook-iin v1.7.0 — Documentation and Examples Update

This version introduces several improvements focused on documentation quality, usability, and clarity of usage for new users and collaborators.

✨ Main changes: Refactored all docstrings across core modules: - Basics.py - Atom.py - Lattice.py - Functions.py - System.py

Following the PEP 257 standard.

Translated all user messages and prompts from Spanish to English to support broader accessibility and collaboration.

Added Jupyter Notebook examples demonstrating typical use cases:

03ExampleHeterostructure.ipynb: Generation of multilayer heterostructures with realistic materials.

04ExampleResults_AngleInterval.ipynb: Automatic search for commensurate primitive cells within a given rotation angle interval.

Improved overall code readability and consistency across modules.

This release lays the groundwork for continued development and international collaboration. Please refer to the updated notebooks and docstrings for guidance on usage.

- Python
Published by OssielAg 8 months ago

nook-iin - Nook'inn v1.5 – A Professional Computational Tool for 2D Multilayer Systems

This release marks the first professionally structured version of Nook'inn, a computational tool designed for constructing and analyzing primitive cells in 2D multilayer Van der Waals systems. Compared to the initial version, this update includes refined documentation, enhanced usability, and improved accessibility for researchers. Key improvements in this version: - Bilingual examples: Comprehensive demonstrations in both English and Spanish to accommodate a broader scientific audience. - Enhanced documentation: Clarifications and expansions in methodology, ensuring precise guidance for users. - Additional missing elements: Incorporation of previously omitted features and structural refinements to meet professional standards.

With these advancements, Nook'inn is now equipped for formal citations in scientific publications and theses, providing researchers with a robust and well-documented computational tool for crystallographic analysis.

- Python
Published by OssielAg 10 months ago

nook-iin - Nook'iin: First public version

This is the first public release of Nook'iin, a free software developed as part of a Bachelor’s thesis in Computer Science at the Faculty of Sciences, UNAM. The program is designed to facilitate the theoretical analysis and construction of two-dimensional heterostructures, with applications in materials science, particularly van der Waals heterostructures.

Key Features in This Version:

Calculation of primitive cells for multilayer 2D systems. Representation in reciprocal space and generation of theoretical diffraction patterns. Complete documentation available in the file NookinnOverview.pdf included in this repository.

- Python
Published by OssielAg about 1 year ago