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

Validate log volume moves implementation #130

Open
emarinri opened this issue Aug 2, 2022 · 0 comments
Open

Validate log volume moves implementation #130

emarinri opened this issue Aug 2, 2022 · 0 comments

Comments

@emarinri
Copy link
Contributor

emarinri commented Aug 2, 2022

Is your feature request related to a problem? Please describe.

There is code that was implemented a while back related to performing volume moves in log space. As far as I can tell, the code looks good, but has not been used in a long time. Cassandra has changed a lot since then, so probably it would be good to validate this implementation and incorporate it as a feature.

Describe the solution you'd like

Validate using NPT and GEMC-NPT. As far as I remember from Frenkel & Smit and/or Allen & Tildesley, doing volumes in log space would speed up convergence.

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