PMD onboarding workshop: pyiron workflows

The repository of the PMD onboarding workshop. The repository includes the pyiron workflow notebooks presented in the afternoon session.

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Content

| notebooks | Description | path|

|-----|------------|------------|

| 0_opening_notebook.ipynb | introduction to jupyterlab environement | . |

| 1_1_intro.ipynb | introduction to pyiron workflows via lammps simulation| 1_1_intro_pyiron_building_blocks |

| 1_2_import_project.ipynb | imports an exported project | 1_2_import_proj/ |

| 2_0_custom_python_job.ipynb | Defining custom classes for python jobs | 2_customized_job/ |

| 2_1_custom_bash_job.ipynb | Defining custom classes for non-python jobs | 2_customized_job/ |

| 3_lammps-damask-workflow.ipynb | lammps-damask workflow to obtain macroscopic response based on atomistic properties | 3_lammps_damask_workflow/ |

| 4_data_mining.ipynb | introduction to data mining capabilities in pyiron | 4_data_mining/ |

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