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

Reference material for NPT replica exchange #86

Open
nhenriksen opened this issue Feb 12, 2019 · 2 comments
Open

Reference material for NPT replica exchange #86

nhenriksen opened this issue Feb 12, 2019 · 2 comments
Assignees
@slochower @nhenriksen
Labels
enhancement

Comments

@nhenriksen
Copy link
Collaborator

nhenriksen commented Feb 12, 2019 •
edited
Loading

Papesr:

Possibly helpful code:

I'm still a little unclear on what exactly the exchange probability equation will be ... maybe the PV work will cancel? So it would just be ....

image

image

Something doesn't quite feel right about that
@slochower
Copy link
Member

I wonder how this relates to some of the things labeled "lambda exchange".

@nhenriksen
Copy link
Collaborator Author

lambda exchange could be considered a form of hamiltonian exchange

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@slochower slochower

@nhenriksen nhenriksen

Labels
enhancement
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
2 participants
@slochower @nhenriksen