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

wrap and unwrap algorithms #8

Open
Luthaf opened this issue May 13, 2016 · 0 comments
Open

wrap and unwrap algorithms #8

Luthaf opened this issue May 13, 2016 · 0 comments
Labels
Algorithm

Comments

@Luthaf
Copy link
Member

Luthaf commented May 13, 2016

cfiles wrap would rewrap all atoms inside the unit cell.

cfiles unwrap would try to unwrap atoms, using the velocities to predict and correct boundary crossing.
Luthaf pushed a commit that referenced this issue Sep 30, 2016
Add a 'convert' option to wrap the atoms
b9953e3 
Ref #8
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
Algorithm
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
1 participant
@Luthaf