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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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Implementing the MTP potential #78

Closed brucefan1983 closed 3 years ago

brucefan1983 commented 3 years ago

This is also in our TODO list.

Reference: Moment Tensor Potentials: a class of systematically improvable interatomic potentials Alexander V. Shapeev

brucefan1983 commented 3 years ago

I have developed a new machine learning potential and I am not interested in implementing this anymore.