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 simple finegraining for UA systems #44

Open
wants to merge 6 commits into
base: main
Choose a base branch
from
Open

Add simple finegraining for UA systems #44

wants to merge 6 commits into from

Commits on Jun 10, 2022

  1. Start adding function for finegraining

    @jennyfothergill
    jennyfothergill committed Jun 10, 2022
    Configuration menu
    Copy the full SHA
    3c1a20e View commit details
    Browse the repository at this point in the history

Commits on Jul 5, 2022

  1. Merge branch 'main' of github.com:cmelab/grits into feat/finegrain-ua

    @jennyfothergill
    jennyfothergill committed Jul 5, 2022
    Configuration menu
    Copy the full SHA
    9a0a220 View commit details
    Browse the repository at this point in the history

  2. Fix indentation and imports

    @jennyfothergill
    jennyfothergill committed Jul 5, 2022
    Configuration menu
    Copy the full SHA
    2e1f140 View commit details
    Browse the repository at this point in the history

Commits on Jul 6, 2022

  1. Add option whether to shift coordinates

    @jennyfothergill
    jennyfothergill committed Jul 6, 2022
    Configuration menu
    Copy the full SHA
    c23c70d View commit details
    Browse the repository at this point in the history

  2. Change function name, write directly from pybel.mol to gsd 

    mbuild compounds are very slow...
    @jennyfothergill
    jennyfothergill committed Jul 6, 2022
    Configuration menu
    Copy the full SHA
    a6ec58d View commit details
    Browse the repository at this point in the history

Commits on Oct 17, 2023

  1. merge with main, fix conflicts

    @chrisjonesBSU
    chrisjonesBSU committed Oct 17, 2023
    Configuration menu
    Copy the full SHA
    02a8729 View commit details
    Browse the repository at this point in the history