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brucefan1983 / GPUMD

Graphics Processing Units Molecular Dynamics
https://gpumd.org/dev
GNU General Public License v3.0
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[Feature request] Please consider adding a feature of predicting tensors in GPUMD #279

Closed tamaswells closed 2 years ago

tamaswells commented 2 years ago

Could you consider adding a feature of predicting tensors like polarizability tensor in the next version of GPUMD? Thank you.

brucefan1983 commented 2 years ago

Thanks for the suggestion. This is defenitely doable. Hope to get your help in the future.

tamaswells commented 2 years ago

That's great. It's amazing that the NEP has a precision close to the AlphaML!