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Extend the correlators for rotational systems #23

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toastedcrumpets opened this Issue Jan 15, 2013 · 1 comment

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toastedcrumpets commented Jan 15, 2013

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).

@ghost ghost assigned toastedcrumpets Jun 7, 2013

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toastedcrumpets Jul 2, 2013

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Updating the issue to reflect that the internal energy is now tracked correctly.

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toastedcrumpets commented Jul 2, 2013

Updating the issue to reflect that the internal energy is now tracked correctly.

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