We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.
You must be logged in to block users.
Contact GitHub support about this user’s behavior. Learn more about reporting abuse.
A tools to process the outputdata from NEP, include the MD part from GPUMD. NEPX, x is everything.
Python 4
Some examples of GPUMD
Python 22 2
Examples of nep-water potential functions, including NEP training procedures and GPUMD molecular dynamics, etc.
Python 8
Some records in the process of learning molecular dynamics
Python