SEAMM Strain Plug-in

A SEAMM plug-in for straining periodic systems.

• Free software: BSD-3-Clause

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

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

History

2026.10.6 – Bugfix: a new system or configuration keeps the current name

• With “keep current name” a new system or configuration was left without a name; it now takes the current system’s or configuration’s name.

2026.10.5 – SEAMM’s standard choices for the strained structure; bugfixes

• The strained structure can overwrite the current configuration, go in a new configuration (the default, as before) or in a new system, with SEAMM’s standard choices and names. A new configuration is named after the strains, e.g. “strained by (0.01, 0, 0, 0, 0, 0)” – it was left unnamed – and the system name is asked for only when a new system is made. Flowcharts saved with the earlier wording (“be put in a new configuration”) are read as before.

• Bugfix: when overwriting the current configuration, the table of the cell showed the strained cell as the initial one too.

• Bugfix: a system that is not periodic ended the flowchart instead of being left as it is.

• Builds again with Python 3.12 (an old versioneer.py no longer worked); requires seamm 2026.10.3.

2022.11.7 – Initial release

First version, which handles straining systems moving the atoms affinely.