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

beignet.func.simulate #13

Open
wants to merge 63 commits into
base: main
Choose a base branch
from
Open

beignet.func.simulate #13

wants to merge 63 commits into from

Conversation

henry-isaacson
Copy link
Collaborator

@henry-isaacson henry-isaacson commented Apr 19, 2024 •
edited
Loading

Simulate is composed of a setup function and a step function to run simulations. By providing a shift function and interact function, one can run different dynamics including various statistical ensembles via simulate.

@henry-isaacson henry-isaacson changed the title simulate Molecular Dynamics: simulate systems in various statistical ensembles Apr 22, 2024
@0x00b1 0x00b1 changed the title Molecular Dynamics: simulate systems in various statistical ensembles Statistical ensemble simulation Apr 22, 2024
@0x00b1 0x00b1 changed the title Statistical ensemble simulation beignet.func.simulation Apr 30, 2024
@0x00b1 0x00b1 changed the title beignet.func.simulation beignet.func.simulate Apr 30, 2024
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers
No reviews
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.
1 participant
@henry-isaacson