EAPOTs

EAPOT is an integrated software platform developed by the research group of Professor Ruifeng Zhang at Beihang University in recent five years to build empirical interatomic potential. Through the convenient interactive interface, it can realize the choice of various potential function forms, the setting of fitting target parameters, the integration of various local and global optimization algorithms, and the verification and analysis window, so as to provide users with a whole process integration platform. The software platform not only realizes the high-throughput automatic fitting process based on first principles calculation, but also realizes the multiple combination and multi-level objective optimization scheme of "energy-stress-force-elasticity", which ensures that the fitting strategy can meet the needs of different simulation scenarios. Compared with other similar softwares such as potfit, meamfit, atomicrex, etc., this software exhibits a series of advantages, e.g. more concise control interface, richer function form, more powerful optimization algorithms, and higher integration degree.