Skip to content

Conversation

@srmnitc
Copy link
Member

@srmnitc srmnitc commented Apr 19, 2025

This pull request refactors the Liquid class in calphy/liquid.py to improve code readability and maintainability by reformatting multi-line code blocks and enhancing consistency in string formatting. The changes primarily involve the restructuring of method implementations and minor adjustments to logic.

Code readability improvements:

  • Reformatted multi-line method calls and string formatting for better readability, such as in __init__, melt_structure, run_averaging, and run_integration methods. [1] [2] [3] [4]

Logical enhancements:

  • Updated logic to use consistent string formatting (e.g., replacing single quotes with double quotes in run_averaging and run_integration). [1] [2]
  • Improved the parameterization of the Uhlenbeck-Ford model in thermodynamic_integration by replacing hardcoded values with configurable attributes.

Minor cleanup:

  • Removed unnecessary blank lines and comments for cleaner code structure. [1] [2]

@srmnitc srmnitc merged commit c0632ff into main Apr 19, 2025
3 checks passed
@srmnitc srmnitc deleted the allow_flexible_ufm_params branch April 19, 2025 21:25
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants