Structure does not send the right elements list #278

	name: test-full

	on:
	push:
	branches: [master]
	pull_request:
	branches: [master]

	jobs:
	tests:
	runs-on: ${{ matrix.os }}
	strategy:
	matrix:
	os: [ubuntu-latest, macos-latest, windows-latest]
	python-version: ["3.9", "3.10", "3.11", "3.12"]

	steps:
	- uses: actions/checkout@v4
	- name: Set up conda
	uses: conda-incubator/setup-miniconda@v3
	with:
	auto-update-conda: true
	python-version: ${{ matrix.python-version }}
	- name: Set up poetry
	shell: bash -el {0}
	run: \|
	python --version
	python -m pip install --progress-bar=off --upgrade pip
	pip install --progress-bar=off "poetry!=1.4.1"
	- name: Install py4vasp
	shell: bash -el {0}
	run: \|
	poetry --version
	poetry install
	- name: Install mdtraj with conda
	shell: bash -el {0}
	run: \|
	conda info
	conda install -q -c conda-forge mdtraj
	- name: Test with pytest
	shell: bash -el {0}
	run: \|
	poetry run pytest --version
	poetry run pytest --cov=py4vasp --cov-report term
	- name: Check code style
	shell: bash -el {0}
	run: \|
	poetry run isort --version
	poetry run isort --check src
	poetry run isort --check tests
	poetry run black --version
	poetry run black --check src
	poetry run black --check tests

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