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

Switchable numpy backends #80

Merged
merged 58 commits into from
Sep 21, 2024
Merged

Switchable numpy backends #80

merged 58 commits into from
Sep 21, 2024

Commits on Sep 14, 2024

  1. Support for switching numpy to different module

    @obackhouse
    obackhouse committed Sep 14, 2024
    Configuration menu
    Copy the full SHA
    525a664 View commit details
    Browse the repository at this point in the history

  2. Start on tensorflow backend

    @obackhouse
    obackhouse committed Sep 14, 2024
    Configuration menu
    Copy the full SHA
    79f0bb3 View commit details
    Browse the repository at this point in the history

  3. Getting there with tensorflow

    @obackhouse
    obackhouse committed Sep 14, 2024
    Configuration menu
    Copy the full SHA
    9831eef View commit details
    Browse the repository at this point in the history

Commits on Sep 15, 2024

  1. More tensorflow backend

    @obackhouse
    obackhouse committed Sep 15, 2024
    Configuration menu
    Copy the full SHA
    c074ee0 View commit details
    Browse the repository at this point in the history

Commits on Sep 16, 2024

  1. Fix RMP2 rdm2

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    10f3e51 View commit details
    Browse the repository at this point in the history

  2. Fix einsum tests

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    8f18625 View commit details
    Browse the repository at this point in the history

  3. Fix MP2 2RDMs for tensorflow

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    2e8d6a3 View commit details
    Browse the repository at this point in the history

  4. Disable CCSDt' tests for tensorflow backend

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    71a4f26 View commit details
    Browse the repository at this point in the history

  5. Fix conversion routines for tensorflow

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    b22fc51 View commit details
    Browse the repository at this point in the history

  6. linting

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    cf697bd View commit details
    Browse the repository at this point in the history

  7. Add missing backend import

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    bdb3f25 View commit details
    Browse the repository at this point in the history

  8. Add backend to workflow name

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    1686f73 View commit details
    Browse the repository at this point in the history

  9. Print durations after tests

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    c40979c View commit details
    Browse the repository at this point in the history

  10. Mark GCCSDTQ test as slow

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    4d4b985 View commit details
    Browse the repository at this point in the history

  11. Don't skip slow tests by default

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    374f811 View commit details
    Browse the repository at this point in the history

  12. Custom DIIS

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    b1d79a5 View commit details
    Browse the repository at this point in the history

  13. Custom DIIS to allow immutable backend

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    c53734f View commit details
    Browse the repository at this point in the history

  14. Fix EOM for immutable backend

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    0f26854 View commit details
    Browse the repository at this point in the history

  15. Fix BCC for immutable backend

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    d4ed4cf View commit details
    Browse the repository at this point in the history

  16. Fix test for immutable backend

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    a5191b4 View commit details
    Browse the repository at this point in the history

  17. Missed a file

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    3d5c71c View commit details
    Browse the repository at this point in the history

  18. Disable EOM tests without numpy backend because of pyscf davidson

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    5e1ed79 View commit details
    Browse the repository at this point in the history

  19. Linting

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    00337a8 View commit details
    Browse the repository at this point in the history

  20. Ensure cast to backend array type

    @obackhouse
    obackhouse committed Sep 16, 2024
    Configuration menu
    Copy the full SHA
    2e0ec8b View commit details
    Browse the repository at this point in the history

Commits on Sep 17, 2024

  1. Add minimal test suite

    @obackhouse
    obackhouse committed Sep 17, 2024
    Configuration menu
    Copy the full SHA
    6325b35 View commit details
    Browse the repository at this point in the history

  2. Run minimal tests only for tensorflow

    @obackhouse
    obackhouse committed Sep 17, 2024
    Configuration menu
    Copy the full SHA
    fb88665 View commit details
    Browse the repository at this point in the history

  3. Jax backend

    @obackhouse
    obackhouse committed Sep 17, 2024
    Configuration menu
    Copy the full SHA
    dfa4e1e View commit details
    Browse the repository at this point in the history

  4. Minimal tests for jax and tensorflow

    @obackhouse
    obackhouse committed Sep 17, 2024
    Configuration menu
    Copy the full SHA
    8b687ab View commit details
    Browse the repository at this point in the history

  5. Cupy backend

    @obackhouse
    obackhouse committed Sep 17, 2024
    Configuration menu
    Copy the full SHA
    03e53cc View commit details
    Browse the repository at this point in the history

  6. Fix workflow file

    @obackhouse
    obackhouse committed Sep 17, 2024
    Configuration menu
    Copy the full SHA
    5304b81 View commit details
    Browse the repository at this point in the history

  7. Add other backend installation options

    @obackhouse
    obackhouse committed Sep 17, 2024
    Configuration menu
    Copy the full SHA
    2f98232 View commit details
    Browse the repository at this point in the history

  8. Don't add all deps to dev

    @obackhouse
    obackhouse committed Sep 17, 2024
    Configuration menu
    Copy the full SHA
    76a9afe View commit details
    Browse the repository at this point in the history

  9. Fix wrong inplace keyword arg

    @obackhouse
    obackhouse committed Sep 17, 2024
    Configuration menu
    Copy the full SHA
    7c63102 View commit details
    Browse the repository at this point in the history

Commits on Sep 18, 2024

  1. Fix workflows

    @obackhouse
    obackhouse committed Sep 18, 2024
    Configuration menu
    Copy the full SHA
    7af8b09 View commit details
    Browse the repository at this point in the history

  2. Clean up DIIS

    @obackhouse
    obackhouse committed Sep 18, 2024
    Configuration menu
    Copy the full SHA
    3900bae View commit details
    Browse the repository at this point in the history

  3. Try to fix workflows again

    @obackhouse
    obackhouse committed Sep 18, 2024
    Configuration menu
    Copy the full SHA
    702c71a View commit details
    Browse the repository at this point in the history

  4. That should work

    @obackhouse
    obackhouse committed Sep 18, 2024
    Configuration menu
    Copy the full SHA
    b222c30 View commit details
    Browse the repository at this point in the history

  5. Linting

    @obackhouse
    obackhouse committed Sep 18, 2024
    Configuration menu
    Copy the full SHA
    2f7108a View commit details
    Browse the repository at this point in the history

Commits on Sep 19, 2024

  1. Fix TTGT name

    @obackhouse
    obackhouse committed Sep 19, 2024
    Configuration menu
    Copy the full SHA
    ab96061 View commit details
    Browse the repository at this point in the history

  2. Don't use swapaxes

    @obackhouse
    obackhouse committed Sep 19, 2024
    Configuration menu
    Copy the full SHA
    1b35036 View commit details
    Browse the repository at this point in the history

Commits on Sep 20, 2024

  1. Fix contract name in test

    @obackhouse
    obackhouse committed Sep 20, 2024
    Configuration menu
    Copy the full SHA
    069c53f View commit details
    Browse the repository at this point in the history

  2. Remove tensorflow monkeypatched tensor methods

    @obackhouse
    obackhouse committed Sep 20, 2024
    Configuration menu
    Copy the full SHA
    25171d5 View commit details
    Browse the repository at this point in the history

  3. Fix transpose typos

    @obackhouse
    obackhouse committed Sep 20, 2024
    Configuration menu
    Copy the full SHA
    2fc727b View commit details
    Browse the repository at this point in the history

  4. Change numpy array method calls to array API calls

    @obackhouse
    obackhouse committed Sep 20, 2024
    Configuration menu
    Copy the full SHA
    334190a View commit details
    Browse the repository at this point in the history

  5. Add astype wrapper for tf

    @obackhouse
    obackhouse committed Sep 20, 2024
    Configuration menu
    Copy the full SHA
    5a7a019 View commit details
    Browse the repository at this point in the history

  6. CTF backend

    @obackhouse
    obackhouse committed Sep 20, 2024
    Configuration menu
    Copy the full SHA
    0bb6855 View commit details
    Browse the repository at this point in the history

  7. Some fixes for CTF backend

    @obackhouse
    obackhouse committed Sep 20, 2024
    Configuration menu
    Copy the full SHA
    ba0c768 View commit details
    Browse the repository at this point in the history

  8. Use multiplication instead of bitwise AND

    @obackhouse
    obackhouse committed Sep 20, 2024
    Configuration menu
    Copy the full SHA
    dc157e5 View commit details
    Browse the repository at this point in the history

  9. Fix einsum call for ctf

    @obackhouse
    obackhouse committed Sep 20, 2024
    Configuration menu
    Copy the full SHA
    70e3642 View commit details
    Browse the repository at this point in the history

  10. ones_like and zeros_like for ctf

    @obackhouse
    obackhouse committed Sep 20, 2024
    Configuration menu
    Copy the full SHA
    4833525 View commit details
    Browse the repository at this point in the history

  11. More changes to support ctf a bit

    @obackhouse
    obackhouse committed Sep 20, 2024
    Configuration menu
    Copy the full SHA
    ec61acd View commit details
    Browse the repository at this point in the history

  12. No need for monkeypatching

    @obackhouse
    obackhouse committed Sep 20, 2024
    Configuration menu
    Copy the full SHA
    f4349ec View commit details
    Browse the repository at this point in the history

Commits on Sep 21, 2024

  1. linting

    @obackhouse
    obackhouse committed Sep 21, 2024
    Configuration menu
    Copy the full SHA
    f179681 View commit details
    Browse the repository at this point in the history

  2. linting

    @obackhouse
    obackhouse committed Sep 21, 2024
    Configuration menu
    Copy the full SHA
    c667cdf View commit details
    Browse the repository at this point in the history

  3. linting

    @obackhouse
    obackhouse committed Sep 21, 2024
    Configuration menu
    Copy the full SHA
    181b672 View commit details
    Browse the repository at this point in the history

  4. Don't run double unit tests with coverage

    @obackhouse
    obackhouse committed Sep 21, 2024
    Configuration menu
    Copy the full SHA
    52cbaea View commit details
    Browse the repository at this point in the history

  5. Fix damping for immutable backends

    @obackhouse
    obackhouse committed Sep 21, 2024
    Configuration menu
    Copy the full SHA
    c8e0653 View commit details
    Browse the repository at this point in the history

  6. Remove poorly conditioned test

    @obackhouse
    obackhouse committed Sep 21, 2024
    Configuration menu
    Copy the full SHA
    6cbcc8c View commit details
    Browse the repository at this point in the history