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

Add dihedral MCMove class #479

Open
wants to merge 10 commits into
base: main
Choose a base branch
from
Open

Add dihedral MCMove class #479

wants to merge 10 commits into from

Conversation

zhang-ivy
Copy link
Contributor

@zhang-ivy zhang-ivy commented Aug 27, 2020 •
edited

Description

Subclass the MetropolizedMove to enable rigid rotations for a given dihedral.

Todos

Status

  • Ready to go

@zhang-ivy
Copy link
Contributor Author

@dominicrufa any comments before I write some tests?

dominicrufa
dominicrufa reviewed Aug 27, 2020
View reviewed changes
Copy link
Contributor

@dominicrufa dominicrufa left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

looks good so far. proceed with tests.

@zhang-ivy
Copy link
Contributor Author

@dominicrufa can you review again?

@jchodera
Copy link
Member

We'll update and merge this PR shortly.

@jchodera jchodera changed the title add dihedral move class Add dihedral MCMove class Mar 17, 2022
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers

@dominicrufa dominicrufa dominicrufa left review comments

At least 1 approving review is required to merge this pull request.

Assignees

@ijpulidos ijpulidos

Labels
low-effort medium-priority 🌠 enhancement
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.

None yet
5 participants
@zhang-ivy @jchodera @dominicrufa @ijpulidos @jaimergp