Stars
A tools to process the outputdata from NEP, include the MD part from GPUMD. NEPX, x is everything.
Examples of nep-water potential functions, including NEP training procedures and GPUMD molecular dynamics, etc.
Machine-learned potentials construction for high-entropy alloys properties using GPUMD package - UVA School of Engineering and Applied Science
Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)
Material structure processing software based on ASE (Atomic Simulation Environment)
GPUMD and LAMMPS helper functions for thermal computations