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Feature: Calculate and output electron localization function (ELF) with KSDFT and OFDFT #3583

Feature: Calculate and output electron localization function (ELF) with KSDFT and OFDFT

Feature: Calculate and output electron localization function (ELF) with KSDFT and OFDFT #3583

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