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Examples
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The following examples demonstrate typical usage of UppASD Tools.
Full scripts and notebooks are available in the GitHub repository.

- Use UppOut object to inspect simulation metadata and read output files as pandas DataFrames: `read_output_files.ipynb <https://github.com/LLapsus/uppasd_tools/blob/78e493ae3d7236fcbab24c5b8ed11649b91f53fa/examples/read_output_files.ipynb>`_
- Visualize atomic structures and magnetic configurations using py3Dmol: `visualize_structure.ipynb <https://github.com/LLapsus/uppasd_tools/blob/78e493ae3d7236fcbab24c5b8ed11649b91f53fa/examples/visualize_structure.ipynb>`_
- Analyze neighbor shells and exchange interactions from the struct file: `analyze_structure.ipynb <https://github.com/LLapsus/uppasd_tools/blob/78e493ae3d7236fcbab24c5b8ed11649b91f53fa/examples/analyze_structure.ipynb>`_
- Collect and aggregate outputs across different simulations to obtain temperature dependence of desired quantities: `collect_data.ipynb <https://github.com/LLapsus/uppasd_tools/blob/78e493ae3d7236fcbab24c5b8ed11649b91f53fa/examples/collect_data.ipynb>`_