Releases: brucefan1983/NEP_CPU
NEP_CPU-v1.4
This is compatible with GPUMD-v4.8: https://github.com/brucefan1983/GPUMD/releases/tag/v4.8
NEP_CPU-v1.3
This is compatible with GPUMD-v3.9.5: https://github.com/brucefan1983/GPUMD/releases/tag/v3.9.5
NEP_CPU-v1.2
This is compatible with GPUMD-v3.7: https://github.com/brucefan1983/GPUMD/releases/tag/v3.7
NEP_CPU-v1.1
This is compatible with GPUMD-v3.5: https://github.com/brucefan1983/GPUMD/releases/tag/v3.5
NEP_CPU-v1.0
-
This is the first released version of
NEP_CPU. -
It contains a standalone C++ implementation (a class called
NEP3) of the neuroevolution potential (NEP) as introduced in the GPUMD package (https://github.com/brucefan1983/GPUMD). It is consistent withGPUMD-v3.4.1(https://github.com/brucefan1983/GPUMD/releases/tag/v3.4.1). -
It also has an interface of the
NEP3class to the CPU version of LAMMPS (https://github.com/lammps/lammps).