allow for choosing 2 or 3 hidden layers and activation functions in NEP

brucefan1983 / GPUMD

Graphics Processing Units Molecular Dynamics

https://gpumd.org/dev

GNU General Public License v3.0

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allow for choosing 2 or 3 hidden layers and activation functions in NEP #129

Closed brucefan1983 closed 2 years ago

brucefan1983 commented 2 years ago

Aim to finish this upon releasing GPUMD-v3.0.

brucefan1983 commented 2 years ago

I tried this, but seems more hidden layers do not lead to better accuracy and reduce the speed a lot (can be 50%). I don't like a slow code, so give up.