Supercell Step
A SEAMM plug-in for building supercells of periodic systems.
Free software: BSD-3-Clause
Documentation: https://molssi-seamm.github.io/supercell_step/index.html
Features
Currently only accepts na, nb, and nc, the numbers of cells in the three directions.
To do:
Create a supercell with a minimum dimension, e.g. 10 Å.
Create orthorhombic cells from hexagonal ones.
Build using the primitive cell rather than conventional.
Acknowledgements
This package was created with Cookiecutter and the molssi-seamm/cookiecutter-seamm-plugin project template.
Developed by the Molecular Sciences Software Institute (MolSSI), which receives funding from the National Science Foundation under award OAC-1547580 and CHE-2136142.
Development Team
Paul Saxe <psaxe@molssi.org> (Lead)
Why don’t you join the team? Become a contributor!