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Description
The rotational energy must also be included for systems with rotational degrees of freedom.
See the notes of this reference entry for more details:
http://localhost/index.php/outputplugins#thermalconductivity
Add in calculation/tracking of the internal energy of a particle to the Misc plugin, and extend the thermal conductivity correlator.Update the output reference documentation to reflect this improvement.- Sort out the storage of rotational data (place it inside of the Species tag and add a way to calculate the degrees of freedom).
- Use the Species to calculate kinetic energies of Particles (including rotational).
- Update the Misc plugin to track these rotational energies.
- Update the output reference documentation to reflect this improvement (temperature and thermal conductivity).