[go: up one dir, main page]
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: Pavlo3P/PyCI
Failed to load repositories. Confirm that selected base ref is valid, then try again.
Loading
base: master
Choose a base ref
...
head repository: theochem/PyCI
Failed to load repositories. Confirm that selected head ref is valid, then try again.
Loading
compare: master
Choose a head ref
Checking mergeability… Don’t worry, you can still create the pull request.
  • 6 commits
  • 20 files changed
  • 6 contributors

Commits on May 22, 2024

  1. Adding Neumman and Dykstra algorithims. (theochem#57) 

    * Adding Neumman and Dykstra algorithims.

* Adding documentation, fixing data types, adding return to optimize methods and fixing other minor problems

* Halpern class implementation

* Fixing identation and changing D to gamma_new

---------

Co-authored-by: Daniel Calero <110789386+DanielCalero1@users.noreply.github.com>
    @AlexandreDeCamargo @DanielCalero1
    AlexandreDeCamargo and DanielCalero1 authored May 22, 2024
    Configuration menu
    Copy the full SHA
    ed4d6e5 View commit details
    Browse the repository at this point in the history

Commits on Jul 9, 2024

  1. Add odometer tester (theochem#55)

    @alnaba1
    alnaba1 authored Jul 9, 2024
    Configuration menu
    Copy the full SHA
    73bfa97 View commit details
    Browse the repository at this point in the history

Commits on Sep 25, 2024

  1. Expose Sparse Op's CSR matrix to Python (theochem#74)

    @msricher
    msricher authored Sep 25, 2024
    Configuration menu
    Copy the full SHA
    a0050f9 View commit details
    Browse the repository at this point in the history

Commits on Oct 30, 2024

  1. Add pypi_release.yaml draft (theochem#75) 

    * Add pypi_release.yaml draft

* Add OS matrix

* Only use Ubuntu for testing purposes

* Fix make step

* Add missing `pytest` as dependency

* Fix classifiers in setup.py
    @FanwangM
    FanwangM authored Oct 30, 2024
    Configuration menu
    Copy the full SHA
    bc5a034 View commit details
    Browse the repository at this point in the history

  2. Add pyprojec.toml and remove setup.py (theochem#76) 

    * Remove setup.py to support pyproject.toml

* Add initial version of pyproject.toml

* Remove README.rst

* Add README.md

* Remove pytest installation as it's covered in pyproject.toml

* Not using scikit-build at this stage

* Cleaning up the dependencies

* Fix missing pytest depedency

* Fix missing dependencies

* Clean up
    @FanwangM
    FanwangM authored Oct 30, 2024
    Configuration menu
    Copy the full SHA
    9164c49 View commit details
    Browse the repository at this point in the history

Commits on Oct 31, 2024

  1. Fix import issue (theochem#78) 

    * Use absolute import path

* Try src folder

* Fix pyci C ext. module import

* Update FanCI to use new C ext. module

---------

Co-authored-by: Michelle Richer <michellericher93@gmail.com>
    @FanwangM @msricher
    FanwangM and msricher authored Oct 31, 2024
    Configuration menu
    Copy the full SHA
    1c85597 View commit details
    Browse the repository at this point in the history
Loading