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

Simpler molecule graph support + performance enhancement to XRD plot #334

Open
wants to merge 5 commits into
base: main
Choose a base branch
from
Open

Simpler molecule graph support + performance enhancement to XRD plot #334

wants to merge 5 commits into from

Commits on May 5, 2023

  1. small change to structure to also support MoleculeGraphs

    @orionarcher
    orionarcher committed May 5, 2023
    Configuration menu
    Copy the full SHA
    e72f7f7 View commit details
    Browse the repository at this point in the history

  2. add vectorized inner loop for get_figure

    @orionarcher
    orionarcher committed May 5, 2023
    Configuration menu
    Copy the full SHA
    7d3ba05 View commit details
    Browse the repository at this point in the history

  3. Merge remote-tracking branch 'origin/main' into mpcules 

    # Conflicts:
#	crystal_toolkit/components/structure.py
    @orionarcher
    orionarcher committed May 5, 2023
    Configuration menu
    Copy the full SHA
    7964e1c View commit details
    Browse the repository at this point in the history

  4. remove old functionality

    @orionarcher
    orionarcher committed May 5, 2023
    Configuration menu
    Copy the full SHA
    588bb3f View commit details
    Browse the repository at this point in the history

  5. [pre-commit.ci] auto fixes from pre-commit.com hooks 

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed May 5, 2023
    Configuration menu
    Copy the full SHA
    85fca9a View commit details
    Browse the repository at this point in the history