Feature: print the expectation value of angular momentum operators Lx/Ly/Lz for ABACUS NAO basis #5689
Workflow file for this run
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| name: Pyabacus Build and Test | |
| on: | |
| pull_request: | |
| jobs: | |
| test: | |
| name: PyTest | |
| runs-on: ubuntu-latest | |
| container: | |
| image: ghcr.io/deepmodeling/abacus-gnu | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v4 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: 3.8 | |
| - name: Build Pyabacus | |
| run: | | |
| cd python/pyabacus | |
| python -m pip install -v .[test] | |
| - name: Test Pyabacus | |
| run: | | |
| cd python/pyabacus/tests | |
| pytest -v |