Style Guide#

Detailed style guidelines for contributing to UCLCHEM.

Python Style#

Detailed guidelines coming soon

Code Formatting#

Use Black formatter:

black src/uclchem/

Naming Conventions#

  • Functions: snake_case

  • Variables: snake_case

  • Constants: UPPER_SNAKE_CASE

  • Classes: PascalCase

Documentation#

NumPy-style docstrings for all public functions.

Fortran Style#

Detailed guidelines coming soon

Naming Conventions#

  • Subroutines: camelCase

  • Variables: camelCase

  • Modules: module_name_mod

  • Constants: UPPER_CASE

Code Organization#

Use modules to group related functionality.

Documentation Style#

Guidelines coming soon

MyST Markdown#

Use MyST syntax for documentation files.

Jupyter Notebooks#

Keep notebooks clean and well-commented.

See also

Contributing Guide for the general contribution workflow