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XU Ke

Advanced
@Kick-H

Computational science researcher

For_gpumd. Some examples of GPUMD

24

NEP-water. Examples of nep-water potential functions, including NEP training procedures and GPUMD molecular dynamics, etc.

12

FETmod. A module that can build atomic-level FET models is part of the NEP-FET workflow.

6

nepx. A tools to process the outputdata from NEP, include the MD part from GPUMD. NEPX, x is everything.

5

nep_deepmd_mutual_conversion. Python

4

Molecular-Dynamics-Modeling. Build molecules, Molecular dynamics, LAMMPS, VMD, OVITO, GNUPLOT, PYTHON

3