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

Handle NaNs correctly #38

Open
maxentile opened this issue May 22, 2017 · 0 comments
Open

Handle NaNs correctly #38

maxentile opened this issue May 22, 2017 · 0 comments
Assignees
@maxentile
Labels
bug high-priority

Comments

@maxentile
Copy link
Member

NaNs can be encountered in the nonequilibrium protocols either in the 0 -> M trajectory or in the M -> 2M trajectory, leading to runtime errors. Will want to catch Exception: Particle coordinate is nan.

Also, instead of terminating early when NaNs are encountered, @jchodera suggested to count the number of NaNs encountered for each scheme.
@maxentile maxentile self-assigned this May 22, 2017
maxentile added a commit that referenced this issue May 28, 2017
@maxentile
Don't set positions / velocities to NaNs
e51285f 
Addresses #38
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@maxentile maxentile

Labels
bug high-priority
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
1 participant
@maxentile