Fixed the unit error in documentation of phonon.py

[rul048]

The unit is incorrect.

Summary

Major changes:

• feature 1: ...
• fix 1: ...

Todos

If this is work in progress, what else needs to be done?

• feature 2: ...
• fix 2:

Checklist

• Google format doc strings added. Check with ruff.
• Type annotations included. Check with mypy.
• Tests added for new features/fixes.
• If applicable, new classes/functions/modules have duecredit @due.dcite decorators to reference relevant papers by DOI (example)

Tip: Install pre-commit hooks to auto-check types and linting before every commit:

pip install -U pre-commit
pre-commit install

[janosh]

thanks! can you add a code comment with a link to where the units are documented?

[rul048]

How about just writing the comments and links here? Or it may affect the aesthetics of the source code.

[janosh]

feel free to insert the link where you think best

[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Comparison is base (ce513a2) 100.00% compared to head (74e8f11) 100.00%.
Report is 1 commits behind head on main.

Additional details and impacted files

@@            Coverage Diff            @@
##              main       #17   +/-   ##
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  Coverage   100.00%   100.00%           
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  Files            8         8           
  Lines          266       266           
=========================================
  Hits           266       266           

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[shyuep]

Tests are also needed.

[rul048]

The units are documented in phonopy. See phonopy.Phonopy.run_thermal_properties() (https://github.com/phonopy/phonopy/blob/develop/phonopy/api_phonopy.py#L2591)
-> phonopy.phonon.thermal_properties.ThermalProperties.run() (https://github.com/phonopy/phonopy/blob/develop/phonopy/phonon/thermal_properties.py#L498)
-> phonopy.phonon.thermal_properties.ThermalPropertiesBase.run_free_energy(), run_entropy(), run_heat_capacity() (https://github.com/phonopy/phonopy/blob/develop/phonopy/phonon/thermal_properties.py#L217, #L233, #L225)

[shyuep]

The links should be in the code documentation itself. That does not affect the aesthetics of the code. It is more important that the documentation is clear. Otherwise it is hard for people to debug next time.

[rul048]

Important lesson professor, and thank you both.

The links should be in the code documentation itself. That does not affect the aesthetics of the code. It is more important that the documentation is clear. Otherwise it is hard for people to debug next time.