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

Bonds are always recomputed during relaxation calculations #16

Open
Sassafrass6 opened this issue Jun 6, 2022 · 0 comments
Open

Bonds are always recomputed during relaxation calculations #16

Sassafrass6 opened this issue Jun 6, 2022 · 0 comments

Comments

@Sassafrass6
Copy link
Owner

The O(N^2) algorithm for computing the bonded atoms sucks.
Until the O(NM) w/ M<<N routine is implemented, a simple caching could speed up the animation within a single instance of XCP.
Potentially, a second process could hastily cache these bonds.....

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

No branches or pull requests

1 participant