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

Initial support for reading charges and forces from extended XYZ #1735

Merged
merged 3 commits into from
Oct 16, 2024
Merged

Initial support for reading charges and forces from extended XYZ #1735

merged 3 commits into from
Oct 16, 2024

Commits on Oct 15, 2024

  1. Initial support for reading charges and forces from extended XYZ 

    Signed-off-by: Geoff Hutchison <[email protected]>
    @ghutchis
    ghutchis committed Oct 15, 2024
    Configuration menu
    Copy the full SHA
    3caa5b0 View commit details
    Browse the repository at this point in the history

  2. Added some debugging info - charges are set but disappear 

    Signed-off-by: Geoff Hutchison <[email protected]>
    @ghutchis
    ghutchis committed Oct 15, 2024
    Configuration menu
    Copy the full SHA
    6703321 View commit details
    Browse the repository at this point in the history

Commits on Oct 16, 2024

  1. Fix up partial charges -- need to add after setting bonds 

    Signed-off-by: Geoff Hutchison <[email protected]>
    @ghutchis
    ghutchis committed Oct 16, 2024
    Configuration menu
    Copy the full SHA
    1afc419 View commit details
    Browse the repository at this point in the history