[WIP] Conductivity

[kdfong]

Summary

• Updated docstrings and comments for conductivity code
• Added option to compute conductivity in Lennard-Jones units
• Added code to automatically identify best linear fitting regime
• Redid conductivity plotting function
• Allowed for ions to have multiple atoms when computing conductivity

Additional dependencies introduced (if any)

• None

TODO

• Incorporate tests

Checklist

Work-in-progress pull requests are encouraged. Please put [WIP] in the pull request title.

Before a pull request can be merged, the following items must be checked:

• [ ] Code is in the standard Python style. The easiest way to handle this is to run the following in the correct sequence on your local machine. Start with running black on your new code. This will automatically reformat your code to PEP8 conventions and removes most issues. Then run pycodestyle, followed by flake8.
• [ ] Docstrings have been added in the Google docstring format. Run pydocstyle on your code.
• [ ] Type annotations are highly encouraged. Run mypy to type check your code.
• [ ] Tests have been added for any new functionality or bug fixes.
• [ ] All linting and tests pass.

[htz1992213]

Hey @kdfong! Would you be ok with me merging the pr at the current state? I can work on completing the tests in a separate pr later. Thanks!

[kdfong]

Hey @kdfong! Would you be ok with me merging the pr at the current state? I can work on completing the tests in a separate pr later. Thanks!

Yes, sounds good!

[htz1992213]

@kdfong Thanks, merged!