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Adding a function that could deal with the magnetic_force and spin when using the ABACUS's deltaspin module #41

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Adding a function that could deal with the magnetic_force and spin when using the ABACUS's deltaspin module

Adding a function that could deal with the magnetic_force and spin when using the ABACUS's deltaspin module #41

Workflow file for this run

.github/workflows/benchmark.yml at 96c74a2
name: Python package
on:
- push
- pull_request
jobs:
build:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
- name: Set up Python
uses: actions/setup-python@v5
with:
python-version: 3.12
- run: curl -LsSf https://astral.sh/uv/install.sh | sh
- name: Install dependencies
run: uv pip install --system .[amber,ase,pymatgen,benchmark] rdkit openbabel-wheel
- name: Run benchmarks
uses: CodSpeedHQ/action@v2
with:
token: ${{ secrets.CODSPEED_TOKEN }}
run: pytest benchmark/ --codspeed