/surfgen

surfgen is a new way for creating surface slabs and find adsorption site automatically.

Primary LanguagePythonGNU General Public License v3.0GPL-3.0

surfgen

surfgen is a new way for creating surface slabs and find adsorption site automatically.

how to install

pip install --upgrade surfgen

Documentation

Please check https://surfgen.readthedocs.io/en/latest/

possible collaborations

If you want to collaborate on this project, please send an email (z.he@fz-juelich.de) to me. I'll be happy to talk about it.