I have added a Tersoff potential function for SiGe in the /potentials/tersoff directory of GPUMD. This potential function originates from the literature “Modeling solid-state chemistry: Interatomic potentials for multicomponent systems”. To verify the accuracy of this potential function, I conducted comparative simulations of energy and force in GPUMD and LAMMPS respectively. The results show that the simulation results of the two are consistent, indicating that the potential function I submitted is consistent with the original LAMMPS potential function.
I have added a Tersoff potential function for SiGe in the /potentials/tersoff directory of GPUMD. This potential function originates from the literature “Modeling solid-state chemistry: Interatomic potentials for multicomponent systems”. To verify the accuracy of this potential function, I conducted comparative simulations of energy and force in GPUMD and LAMMPS respectively. The results show that the simulation results of the two are consistent, indicating that the potential function I submitted is consistent with the original LAMMPS potential function.