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Update the 'get_s' command and related description. Update the 'DOS' output filenames. Move some functions in 'after_all_runners' to 'after_scf'. Change 'out_dm' to 'out_dmk' and change 'out_dm1' to 'out_dmr' #6201

Update the 'get_s' command and related description. Update the 'DOS' output filenames. Move some functions in 'after_all_runners' to 'after_scf'. Change 'out_dm' to 'out_dmk' and change 'out_dm1' to 'out_dmr'

Update the 'get_s' command and related description. Update the 'DOS' output filenames. Move some functions in 'after_all_runners' to 'after_scf'. Change 'out_dm' to 'out_dmk' and change 'out_dm1' to 'out_dmr' #6201

Workflow file for this run

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