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).
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.