Update to v0.4.9

[lipelopesoliveira]

Pull Request

Description 📝

Changes Proposed 🔧

New Features 🎉

Enhanced ✨

• Use the vesin library to check for atom overlaps during the insertion of adsorbates in the GCMC and Widom simulations. The vesin library provides a more efficient method for calculating distances, prividing around 10x speedup in the overlap checking process. From the practical point of view, this change should provide only a minor speedup in the overall simulation time, as this process took only 30 ms on average for 2000 atoms, and now takes only 3 ms. However, this change improves the overall efficiency of the code and reduces the computational overhead associated with overlap checking.

Fixed 🐛

• Now the default value for shifted parameter in the CustomLennardJones and CustomGNP calculators is set to False. This change ensures that the Lennard-Jones and GNP potentials are not shifted by default, which may be more appropriate for certain simulations. Users can still set this parameter to True if they wish to apply a shift to the potential.

Documentation 📖

Removed 🗑️

Related Issues 📎

Fixes # <issue_number>
Closes # <issue_number>

Before submitting 📌

• I've read and followed all steps in the Making a pull request
  section of the CONTRIBUTING docs.
• I've updated or added any relevant docstrings following the syntax described in the
  Writing docstrings section of the CONTRIBUTING docs.
• If this PR fixes a bug, I've added a test that will fail without my fix.
• If this PR adds a new feature, I've added tests that sufficiently cover my new functionality.

Testing Instructions 🧪

Additional Notes 💬