Set a fixed bond length to reduce jumping when adding atoms #72

	name: Format Code

	on:
	push:
	branches:
	- master
	pull_request:
	branches:
	- master
	release:
	types: [published, edited]

	jobs:
	format:
	runs-on: ubuntu-latest

	steps:
	- name: Checkout code
	uses: actions/checkout@v4

	- name: Install dependencies
	run: pip install ruff

	- name: Check code with ruff
	run: ruff check .

	- name: Format code with ruff
	run: ruff format .

	deploy:
	needs: [format]
	name: deploy to pypi
	runs-on: ubuntu-latest
	# this checks that the commit is a tagged commit
	if: github.event_name == 'release' && (github.event.action == 'published' \|\| github.event.action == 'edited')
	steps:
	- uses: actions/checkout@v4
	with:
	fetch-depth: 0
	- name: Set up Python
	uses: actions/setup-python@v5
	with:
	python-version: 3.8
	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	python -m pip install build
	- name: Build a binary wheel and a source tarball
	run: \|
	python -m build .
	# push all tagged versions to pypi.org
	- name: Publish package to PyPI
	uses: pypa/gh-action-pypi-publish@release/v1
	with:
	user: __token__
	password: ${{ secrets.PYPI_TOKEN }}

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