A SEAMM plug-in for calculating thermomechanical properties
Project description
SEAMM Thermomechanical Plug-in
A SEAMM plug-in for calculating thermomechanical properties
Free software: BSD-3-Clause
Documentation: https://molssi-seamm.github.io/thermomechanical_step/index.html
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
- 2025.8.22 – Bugfix: errors in moduli
There were several errors in calculating the Reuss and Voigt approximations for the polycrystalline moduli.
- 2025.8.21 – Initial, working version.
Handles elastic constants for a single state point.
Release history Release notifications | RSS feed
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