Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Extend the correlators for rotational systems #23

Open
toastedcrumpets opened this issue Jan 15, 2013 · 1 comment
Open

Extend the correlators for rotational systems #23

toastedcrumpets opened this issue Jan 15, 2013 · 1 comment
Assignees
Milestone

Comments

@toastedcrumpets
Copy link
Collaborator

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
@toastedcrumpets
Copy link
Collaborator Author

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

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
Development

No branches or pull requests

1 participant