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 distribution function #45

Merged
merged 7 commits into from
Oct 10, 2022
Merged

Add dihedral distribution function #45

merged 7 commits into from
Oct 10, 2022

Commits on Jun 15, 2022

  1. add dihedral angle distribution func

    @chrisjonesBSU
    chrisjonesBSU committed Jun 15, 2022
    Configuration menu
    Copy the full SHA
    84df877 View commit details
    Browse the repository at this point in the history

Commits on Aug 30, 2022

  1. Merge branch 'master' of github.com:cmelab/cmeutils into add/dihedral… 

    …_dist
    @chrisjonesBSU
    chrisjonesBSU committed Aug 30, 2022
    Configuration menu
    Copy the full SHA
    69dba9d View commit details
    Browse the repository at this point in the history

  2. copy over dihedral calc code from polybinderCG

    @chrisjonesBSU
    chrisjonesBSU committed Aug 30, 2022
    Configuration menu
    Copy the full SHA
    8733750 View commit details
    Browse the repository at this point in the history

Commits on Sep 15, 2022

  1. add dihedral calculation bit of code

    @chrisjonesBSU
    chrisjonesBSU committed Sep 15, 2022
    Configuration menu
    Copy the full SHA
    248d233 View commit details
    Browse the repository at this point in the history

Commits on Oct 5, 2022

  1. move dihedral angle calc to func in geometry.py

    @chrisjonesBSU
    chrisjonesBSU committed Oct 5, 2022
    Configuration menu
    Copy the full SHA
    6aad421 View commit details
    Browse the repository at this point in the history

Commits on Oct 10, 2022

  1. add mb to env, add unit tests

    @chrisjonesBSU
    chrisjonesBSU committed Oct 10, 2022
    Configuration menu
    Copy the full SHA
    092bcda View commit details
    Browse the repository at this point in the history

  2. add simple butane gsd file for testing

    @chrisjonesBSU
    chrisjonesBSU committed Oct 10, 2022
    Configuration menu
    Copy the full SHA
    07ebd03 View commit details
    Browse the repository at this point in the history