Empirical InterAtomic Potential Check System
Brief Introduction
EACHK (Empirical InterAtomic Potential Check System) is an efficient open-source program designed by MICID research group at Beihang University for systematical validation of the constructed empirical interatomic potentials used in atomistic simulations.".
Features
- Verification of lattice constant and aggregation energy;
- Rose curve verification;
- Tensile curve verification;
- Elastic constant verification;
- Void formation energy verification;
- Surface energy verification;
- Stacking fault energy verification;
- Physical quantity characteristic verification in high-pressure environments;
- Other advanced potential function models, such as MEAM, BOP and ADP;
- Used as a third-party Python library
Updates
- Ver.1.0.0 is the currently released, also the newest version. No update history available.
License
License statement：EACHK is currently copyrighted and distributed free of charge for academic, scientific, and educational, and non commercial users with our permission. The advanced modules with specific functionals via special algorithms and technical supports may also be available until a contract for payment isestablished. This software is provided ‘as it is’ without any expressed or implied warranty. To obtain the EACHK, one can send an email with the registration form to the email: zrfcms@buaa.edu.cn.