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.

Sign up for GitHub

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

Jump to bottom

Forces: Make Ewald the default handler for derivatives #1768

Closed
rcclay opened this issue Jul 29, 2019 · 1 comment
Closed

Forces: Make Ewald the default handler for derivatives #1768

rcclay opened this issue Jul 29, 2019 · 1 comment
Labels
enhancement

Comments

@rcclay
Copy link
Contributor

rcclay commented Jul 29, 2019

Currently, LRHandlerSRCoulomb handles derivatives of the long range coulomb potential. I don't think this has been unit tested and there's enough gossip indicating that this probably doesn't work. Need to shift over derivative computation to the Ewald3D handler (which is unit tested) until LRHandler or LRHandlerSRCoulomb are tested with derivatives.
@tiihonej tiihonej mentioned this issue Sep 5, 2019
Closed
@rcclay
Copy link
Contributor Author

rcclay commented Nov 7, 2019

Closed by #2019

@rcclay rcclay closed this as completed Nov 7, 2019
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
enhancement
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
2 participants
@rcclay @prckent