Feature&Refactor: support SCF restarts from given density matrices and several minor fixes #16

	name: DPNEGF Tests

	on:
	pull_request:
	paths-ignore:
	- 'docs/**'
	push:
	branches:
	- main
	paths-ignore:
	- 'docs/**'
	- 'examples/**'
	workflow_dispatch:

	jobs:
	run-tests:
	runs-on: ubuntu-latest
	if: github.repository_owner == 'DeePTB-Lab'
	# 使用由 'Container' 工作流构建的开发镜像
	container: ghcr.io/deeptb-lab/dpnegf-main:latest
	steps:
	- name: Checkout code
	uses: actions/checkout@v5
	with:
	fetch-depth: 0

	- name: Add git safe directory
	# 当在容器内操作由外部挂载的工作区时，需要这个命令来避免 git 权限问题
	run: \|
	git config --global --add safe.directory ${GITHUB_WORKSPACE}

	- name: Run Unit Tests
	# 这个脚本应该包含所有测试命令
	run: \|
	bash ut.sh

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