PMD onboarding workshop: pyiron workflows¶
The repository of the PMD onboarding workshop. The repository includes the pyiron workflow notebooks presented in the afternoon session.
mybinder link¶
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/ |
