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fixing the sigma value in example input files and adding comments to the ecutwfc keyword (Useful Information: lower the barrier for users who is not familiar with 'ecut' in the INPUT file)) #4178

fixing the sigma value in example input files and adding comments to the ecutwfc keyword (Useful Information: lower the barrier for users who is not familiar with 'ecut' in the INPUT file))

fixing the sigma value in example input files and adding comments to the ecutwfc keyword (Useful Information: lower the barrier for users who is not familiar with 'ecut' in the INPUT file)) #4178

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