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

Make number of removed DOF optional #135

Closed
joaander opened this issue Mar 25, 2016 · 1 comment
Closed

Make number of removed DOF optional #135

joaander opened this issue Mar 25, 2016 · 1 comment
Labels
enhancement New feature or request
Milestone

Comments

@joaander
Copy link
Member

Original report by me.


HOOMD integrators assume that momentum is conserved in PBC, and there are always N_dimensions DOF removed from the system for temperature computation. This assumption is not always valid, as the user can create systems where momentum is not conserved (i.e. integrated particles bonded to pinned particles). The user should have an option to remove these DOF or not.

The relevant code to modify is:

IntegratorTwoStep::getNDOF
return res - m_sysdef->getNDimensions() - getNDOFRemoved();
@joaander
Copy link
Member Author

It seemed like a good idea at the time, now I don't see the use-case for this.

@joaander joaander added trivial enhancement New feature or request labels Feb 12, 2019
@joaander joaander added this to the v2.0 milestone Feb 18, 2019
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
enhancement New feature or request
Projects
None yet
Development

No branches or pull requests

1 participant