ClayCode generates clay mineral structures based upon their natural partially ocupied unit cell compositions and assigns ClayFF forecefield parameters, generating all the input files ready for simulation with Gromacs software.

Here

Quick Start User Guide Tutorials


On GitHub

GitHub Project


Project Status: Active GitHub commit activity (branch)

Report bugs and give sugestions for future improvements and new features via issues GitHub issues

Contribute via branches and pull requests GitHub pull requests

Claycode is published under the MIT License License: MIT

ClayCode is developed by Hannah Pollak, Matteo Degiacomi and Valentina Erastova, University of Edinburgh, 2023

Please CITE us: HP, MTD, VE "ClayCode: setting up clay structures from simulation in Gromacs", DOI: XXX