subflowchart-step 2026.3.1

A SEAMM plug-in for subflowcharts

SEAMM Subflowchart Plug-in

A SEAMM plug-in for subflowcharts

• Free software: BSD-3-Clause

• Documentation: https://molssi-seamm.github.io/subflowchart_step/index.html

• Code: https://github.com/molssi-seamm/subflowchart_step

Features

• Please edit this section!

Acknowledgements

This package was created with the molssi-seamm/cookiecutter-seamm-plugin tool, which is based on the excellent Cookiecutter.

Developed by the Molecular Sciences Software Institute (MolSSI), which receives funding from the National Science Foundation under award CHE-2136142.

History

2026.3.1 – Internal: switching from deprecated library pkg_resources to importlib

2025.3.4: Handling breaks and continues of loops

• Correctly pass loop exceptions, such as break and continue, that are raised in the flowchart up to any loop that the subflowchart is in.

• Fixed issues with the redirection of printing if errors occur.

2024.11.18: Bugfix: Options not passed correctly to substeps

• Fixed the options, which were not being correctly handled for steps in the subflowchart.

2024.11.5: Initial release

• This is the initial release of the plug-in.

2024.10.26: Initial commit

• Plug-in created using the SEAMM plug-in cookiecutter.