Skip to content
Permalink

Comparing changes

Choose two branches to see what’s changed or to start a new pull request. If you need to, you can also or learn more about diff comparisons.

Open a pull request

Create a new pull request by comparing changes across two branches. If you need to, you can also . Learn more about diff comparisons here.
base repository: CederGroupHub/chgnet
Failed to load repositories. Confirm that selected base ref is valid, then try again.
Loading
base: v0.3.5
Choose a base ref
...
head repository: CederGroupHub/chgnet
Failed to load repositories. Confirm that selected head ref is valid, then try again.
Loading
compare: v0.3.6
Choose a head ref
  • 6 commits
  • 12 files changed
  • 2 contributors

Commits on Mar 21, 2024

  1. Adding function to initialize Calculator from user's weights

    @bowen-bd
    bowen-bd committed Mar 21, 2024
    Configuration menu
    Copy the full SHA
    df560ce View commit details
    Browse the repository at this point in the history

  2. Merge remote-tracking branch 'origin/main'

    @bowen-bd
    bowen-bd committed Mar 21, 2024
    Configuration menu
    Copy the full SHA
    fe0ad9a View commit details
    Browse the repository at this point in the history

Commits on Mar 26, 2024

  1. adding function to avoid sorting cuda memory

    @bowen-bd
    bowen-bd committed Mar 26, 2024
    Configuration menu
    Copy the full SHA
    dd0dd07 View commit details
    Browse the repository at this point in the history

Commits on Apr 1, 2024

  1. Fix parse_vasp_dir if no magmoms (#148) 

    * bump GH upload-artifact action to v4

* WIP tests for parsing VASP dirs with and without magmoms

* comment on test ZIP origin

* fixed vasp parsing and added test

---------

Co-authored-by: BowenD-UCB <84425382+BowenD-UCB@users.noreply.github.com>
    @janosh @bowen-bd
    janosh and bowen-bd authored Apr 1, 2024
    Configuration menu
    Copy the full SHA
    4b4a489 View commit details
    Browse the repository at this point in the history

  2. fixed cuda mem checking for trainer

    @bowen-bd
    bowen-bd committed Apr 1, 2024
    Configuration menu
    Copy the full SHA
    0b90f0c View commit details
    Browse the repository at this point in the history

Commits on Apr 12, 2024

  1. v0.3.6

    @bowen-bd
    bowen-bd committed Apr 12, 2024
    Configuration menu
    Copy the full SHA
    0e5b382 View commit details
    Browse the repository at this point in the history
Loading